{"meta":{"query_hash":"0faaa64eca4f","filters":{"venue":"Journal of Chemical Crystallography"},"cohort_total":61,"direct_labels_cover":0,"predictions_cover":61,"exported":61,"export_cap":100000,"truncated":false,"label_status":"direct model label, unvalidated","prediction_status":"machine_predicted_unvalidated (Codex and Gemma teacher distillation)","score_status":"score_only:v0-immature-baseline","snapshot":{"source":"OpenAlex, pinned release, all 482 partitions","release":"2026-06-24","frame_built":"2026-07-12"},"permalink":"https://metacan.xera.ac/q/0faaa64eca4f","api":"https://metacan.xera.ac/api/v1/cohort?venue=Journal+of+Chemical+Crystallography"},"results":[{"id":"W114673003","doi":"10.1007/s10870-005-9007-y","title":"Crystal Structure of bis(O,O′-neopentylene dithiophosphato)nickel(II) Ni[S2 $$\\kern2pt\\raise12pt\\hbox{\\vrule height3pt width.5pt depth0pt}\\kern-.5pt\\raise14pt\\hbox{\\vrule height.5pt width145pt depth0pt}\\hspace*{-147pt}{\\rm POCH}_2{\\rm CMe}_2{\\rm CH}_2{\\rm O}\\kern-4.2pt\\raise12pt\\hbox{\\vrule height3pt width.5pt depth0pt\\kern3pt}]$$ 2 and bis(O,O′-hexylene dithiophosphato)nickel(II) Ni[S2 $$\\kern2pt\\raise12pt\\hbox{\\vrule height3pt width.5pt depth0pt}\\kern-.5pt\\raise14pt\\hbox{\\vrule height.5pt width164pt depth0pt}\\hspace*{-166pt}{\\rm POCMe}_2{\\rm CH}_2{\\rm CHMeO}\\kern-4.2pt\\raise12pt\\hbox{\\vrule height3pt width.5pt depth0pt\\kern3pt}]$$ 2","year":2006,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Organometallic Compounds Synthesis and Characterization","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Windsor","funders":"","keywords":"Physics; Crystallography; Combinatorics; Mathematics; Chemistry","score_opus":0.005317193306521445,"score_gpt":0.20034024138922607,"score_spread":0.19502304808270463,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W114673003","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9450213,0.001131341,0.0038620895,0.000913299,0.00011887634,0.0000964469,0.0076533495,0.00030722693,0.040896147],"genre_scores_gemma":[0.9608091,0.0009878132,0.0047265147,0.00014509815,0.000017786302,0.00017676564,0.00789631,0.000090669964,0.025150003],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99995387,0.0000028979766,0.0000015091321,0.000010870394,0.000023120987,0.000007691132],"domain_scores_gemma":[0.9999701,0.0000044765775,0.0000047333783,0.0000021773985,0.000010270076,0.000008244199],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00004343772,0.00014479154,0.00019745744,0.000079978636,0.00041626088,0.000329148,0.00067670515,0.00024713625,0.0058252206],"category_scores_gemma":[0.000109977824,0.00019555794,0.00005283984,0.00023811201,0.00016652365,0.00013940086,0.00013040421,0.00057298003,0.0007678662],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0010710383,0.00023857404,0.001947605,0.0006370759,0.000039951283,0.0004492191,0.00019841638,0.0057995305,0.9367006,0.0098722605,0.02738156,0.015664103],"study_design_scores_gemma":[0.00067511725,0.0005311913,0.017322674,0.000051301984,0.000055966597,0.00059808703,0.000598666,0.035376426,0.81104106,0.0016391986,0.13202623,0.00008402952],"about_ca_topic_score_codex":0.016371235,"about_ca_topic_score_gemma":0.013066634,"teacher_disagreement_score":0.016371235,"about_ca_system_score_codex":0.000797404,"about_ca_system_score_gemma":0.00066003,"threshold_uncertainty_score":0.032551944},"labels":[],"label_agreement":null},{"id":"W154670595","doi":"10.1023/a:1023505728123","title":"Crystal structure of 6-nitrobenzo(a)pyrene","year":2003,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Carcinogens and Genotoxicity Assessment","field":"Biochemistry, Genetics and Molecular Biology","cited_by":9,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"McGill University Health Centre; McGill University","funders":"","keywords":"Chemistry; Organometallic chemistry; Crystallography; Crystal structure","score_opus":0.005211826437414328,"score_gpt":0.22674776208035516,"score_spread":0.22153593564294083,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W154670595","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.94418204,0.0132183675,0.006406519,0.0054640574,0.0011673025,0.00013539854,0.007890237,0.0008971686,0.020638904],"genre_scores_gemma":[0.9434599,0.010758359,0.009047415,0.0008598134,0.00015216775,0.00012592431,0.014790403,0.000118487456,0.02068743],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9998758,0.00001615177,0.000006218546,0.000021123675,0.0000611705,0.000019632467],"domain_scores_gemma":[0.9998197,0.000056859495,0.000033653683,0.000007810635,0.00004393162,0.00003807807],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00018649764,0.0003459222,0.00054644415,0.00018982615,0.0005777406,0.000835626,0.0007588233,0.0005412736,0.0039108465],"category_scores_gemma":[0.0004667533,0.00025991717,0.00014323706,0.00039040434,0.00023283041,0.0003457061,0.00021925259,0.0018055093,0.00066121964],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0035153034,0.0015483946,0.010915372,0.0021635666,0.00025174173,0.0038830792,0.0010638703,0.021183053,0.7981129,0.022121575,0.07704206,0.058199074],"study_design_scores_gemma":[0.001777002,0.0013285745,0.04175796,0.00026880731,0.00031673876,0.0029999092,0.0017292518,0.10367666,0.58707076,0.006174738,0.25266036,0.00023927171],"about_ca_topic_score_codex":0.008227751,"about_ca_topic_score_gemma":0.008643328,"teacher_disagreement_score":0.008227751,"about_ca_system_score_codex":0.0011965738,"about_ca_system_score_gemma":0.00097353867,"threshold_uncertainty_score":0.016359746},"labels":[],"label_agreement":null},{"id":"W195027152","doi":"10.1023/a:1014363720456","title":"A molecular recognition event in the reaction of a diazonium salt with N,N-dimethylethylenediamine","year":2001,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Chemical Reactions and Mechanisms","field":"Chemistry","cited_by":4,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Saint Mary's University","funders":"","keywords":"Triazene; Cocrystal; Chemistry; Monoclinic crystal system; Crystallography; Crystal structure; Hydrogen bond; Molecule; Stacking; Benzene; Stereochemistry; Aryl; Alkyl; Organic chemistry","score_opus":0.009467861071646743,"score_gpt":0.22994472782022077,"score_spread":0.22047686674857403,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W195027152","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.98882234,0.00036419745,0.005764147,0.000334512,0.00010110982,0.000047262936,0.000054417673,0.000073698335,0.0044383057],"genre_scores_gemma":[0.9964348,0.00009878453,0.0015732002,0.000057908892,0.00000847185,0.000011668708,0.000041962165,0.000006935934,0.0017663582],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99981457,0.000027767124,0.000008023194,0.000044932127,0.000050010716,0.000054752036],"domain_scores_gemma":[0.99979776,0.00008618037,0.000032688484,0.000026892201,0.000015805432,0.000040670155],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00041595765,0.0002471664,0.00029389103,0.000116698466,0.00034884427,0.00042333698,0.0007352445,0.00095834566,0.0015569282],"category_scores_gemma":[0.000571491,0.00022317366,0.0003170599,0.000091942326,0.00040541124,0.0004822697,0.00026962307,0.00077271415,0.0005134964],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0004043103,0.00008051112,0.00024027198,0.000060849656,0.00001216754,0.0006908133,0.00011442491,0.00022013257,0.99314135,0.0019432766,0.00016493097,0.002926954],"study_design_scores_gemma":[0.000030359397,0.0002623197,0.000517645,0.0000026939226,0.0000077698,0.00033843398,0.000020645186,0.0009459143,0.9970693,0.00014161928,0.0006542503,0.000009168343],"about_ca_topic_score_codex":0.00073198974,"about_ca_topic_score_gemma":0.00071868225,"teacher_disagreement_score":0.0015569282,"about_ca_system_score_codex":0.00054749206,"about_ca_system_score_gemma":0.00032302446,"threshold_uncertainty_score":0.0052084327},"labels":[],"label_agreement":null},{"id":"W1965038334","doi":"10.1007/s10870-009-9611-3","title":"Synthesis and Crystal Structures of o-[(Phenyl/p-methoxyphenyl)carbamoyl]benzene Sulfonamides","year":2009,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Phenothiazines and Benzothiazines Synthesis and Activities","field":"Biochemistry, Genetics and Molecular Biology","cited_by":7,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Calgary","funders":"","keywords":"Monoclinic crystal system; Chemistry; Crystal structure; Benzene; Hydrogen bond; Aniline; Intramolecular force; Sulfonamide; Organometallic chemistry; Aryl; Crystallography; Stereochemistry; Molecule; Medicinal chemistry; Organic chemistry","score_opus":0.006849555918702763,"score_gpt":0.22632758994096608,"score_spread":0.21947803402226332,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W1965038334","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.97231877,0.004200168,0.0073332163,0.0005856787,0.00010123615,0.00016760359,0.0049785892,0.00034327028,0.00997158],"genre_scores_gemma":[0.9580326,0.0064764954,0.017362805,0.0001304921,0.00003438673,0.00018294093,0.007274032,0.000059521448,0.010446798],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99989927,0.00001557676,0.000007660509,0.000011351902,0.000047501748,0.000018662757],"domain_scores_gemma":[0.99987054,0.000026326083,0.000029814297,0.000008896945,0.000031301064,0.000033078173],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00026604682,0.00021986091,0.00032034225,0.00019490864,0.0002493,0.0003869916,0.00048895954,0.00020776202,0.0018551596],"category_scores_gemma":[0.000412904,0.00021672623,0.00007903404,0.00040292917,0.00016671365,0.00016392673,0.000120914774,0.0005846159,0.0006220559],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00080750376,0.00026961789,0.0012610859,0.00037879436,0.000035219826,0.00030171764,0.00025188015,0.0076937415,0.9534691,0.0070735654,0.007961185,0.020496616],"study_design_scores_gemma":[0.00059916114,0.0006726209,0.008085118,0.000046739082,0.000070447284,0.00043386067,0.00028206824,0.020589365,0.90112233,0.0010563007,0.066982895,0.0000590732],"about_ca_topic_score_codex":0.0052675293,"about_ca_topic_score_gemma":0.0071591106,"teacher_disagreement_score":0.0052675293,"about_ca_system_score_codex":0.0010041302,"about_ca_system_score_gemma":0.0008730045,"threshold_uncertainty_score":0.010473728},"labels":[],"label_agreement":null},{"id":"W1967507625","doi":"10.1007/s10870-007-9297-3","title":"Synthesis and Crystal Structure of 3-[(Naphthalen-2-yl)methyl]Isocoumarin","year":2007,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Synthesis and Biological Activity","field":"Biochemistry, Genetics and Molecular Biology","cited_by":1,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Calgary","funders":"","keywords":"Isocoumarin; Crystal structure; Chemistry; Ring (chemistry); Naphthalene; Crystallography; Dihedral angle; Stereochemistry; Organometallic chemistry; Molecule; Organic chemistry; Hydrogen bond","score_opus":0.007273383511043531,"score_gpt":0.2312540926885763,"score_spread":0.22398070917753277,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W1967507625","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9538908,0.003907188,0.014499351,0.0017342903,0.00029231867,0.00029307624,0.006580838,0.0005636315,0.018238435],"genre_scores_gemma":[0.960254,0.0034998634,0.013706884,0.00019336304,0.000054790627,0.00013263982,0.007713417,0.00009204969,0.014352963],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999155,0.0000092065875,0.0000060351736,0.000017608312,0.000033592132,0.000017992048],"domain_scores_gemma":[0.99988925,0.000018956138,0.000026671629,0.0000099147455,0.000026744578,0.000028465192],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00016003671,0.00021452845,0.00029026324,0.00020410659,0.00037313145,0.0005248444,0.0005449698,0.0003620022,0.0023735114],"category_scores_gemma":[0.00036376552,0.0002086534,0.00008799468,0.00047006,0.00017104247,0.00031307037,0.00013296393,0.00087412196,0.0008454367],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0009178368,0.0006433793,0.0015177439,0.00035465427,0.000034131055,0.0008731899,0.00033710248,0.010099023,0.9329779,0.008860153,0.0074817953,0.03590303],"study_design_scores_gemma":[0.0003880441,0.000392988,0.008631455,0.000047313813,0.0000507441,0.00061372825,0.00023394122,0.021643644,0.8816394,0.0014464606,0.084854715,0.000057475707],"about_ca_topic_score_codex":0.0047290265,"about_ca_topic_score_gemma":0.0054021403,"teacher_disagreement_score":0.0047290265,"about_ca_system_score_codex":0.0010341041,"about_ca_system_score_gemma":0.00072887726,"threshold_uncertainty_score":0.00940299},"labels":[],"label_agreement":null},{"id":"W1974549818","doi":"10.1007/s10870-005-1154-7","title":"Crystal structure, vibrational spectra and thermal decomposition of a new tetrazinc(II) dipyrophosphate decahydrate, Zn4(P2O7)2 &lt; eqid1 &gt; ?10H2O","year":2005,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":27,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Université de Montréal; McGill University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Crystallography; Orthorhombic crystal system; Chemistry; Raman spectroscopy; Crystal structure; Pyrophosphate; Octahedron; Infrared spectroscopy; Anhydrous; Single crystal","score_opus":0.00509774783992339,"score_gpt":0.22509155479964962,"score_spread":0.21999380695972623,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W1974549818","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9976769,0.00031094006,0.0005097921,0.00009112201,0.000012606374,0.000005451685,0.00043755546,0.000023995126,0.0009317408],"genre_scores_gemma":[0.9974132,0.00020025409,0.000612798,0.000023044015,0.0000038396697,0.000007675059,0.0008638338,0.000009897317,0.0008654856],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.999941,0.0000052841146,0.0000037702655,0.00001559733,0.000022643955,0.000011689305],"domain_scores_gemma":[0.99992645,0.000017631475,0.00002054824,0.000005770466,0.000011152222,0.000018492401],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00007274333,0.0000978173,0.000107280386,0.00012934968,0.000110447705,0.00014693018,0.00024987946,0.00014267612,0.00094567536],"category_scores_gemma":[0.00017965623,0.0000979222,0.000059610727,0.00015529642,0.00020993793,0.00010090981,0.000082929946,0.00032833533,0.000077868215],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0002444744,0.000038220718,0.000997183,0.000079284866,0.000011969038,0.00007975193,0.000049197977,0.0005252962,0.9948337,0.0003337575,0.0003687175,0.0024385292],"study_design_scores_gemma":[0.00009881931,0.0004323703,0.011678236,0.000011444108,0.00003365927,0.00033404265,0.00009051019,0.0052564763,0.9785461,0.00011995319,0.0033835578,0.000014899819],"about_ca_topic_score_codex":0.0019487585,"about_ca_topic_score_gemma":0.0012827769,"teacher_disagreement_score":0.0019487585,"about_ca_system_score_codex":0.00022040034,"about_ca_system_score_gemma":0.00019407745,"threshold_uncertainty_score":0.0038748384},"labels":[],"label_agreement":null},{"id":"W1975115469","doi":"10.1007/s10870-010-9820-9","title":"Synthesis, Crystal Structures and Molecular Packing of a Series of Pyrazolo-Benzothiazine Hybrid Derivatives","year":2010,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Phenothiazines and Benzothiazines Synthesis and Activities","field":"Biochemistry, Genetics and Molecular Biology","cited_by":9,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Calgary","funders":"","keywords":"Monoclinic crystal system; Benzothiazine; Crystallography; Crystal structure; Chemistry; Organometallic chemistry; Hydrogen bond; Stereochemistry; Thiazine; Bicyclic molecule; Crystal (programming language); Molecule; Medicinal chemistry; Organic chemistry","score_opus":0.005242066459621643,"score_gpt":0.21463201336668464,"score_spread":0.209389946907063,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W1975115469","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9942683,0.0014775397,0.0018120338,0.0001294552,0.000017299915,0.000031209445,0.00047878543,0.00007619938,0.0017092015],"genre_scores_gemma":[0.98904246,0.0018480209,0.0053101424,0.000041839085,0.00000831314,0.000047187965,0.0011396325,0.000026379428,0.0025359257],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999386,0.000009332427,0.0000052303512,0.000010003843,0.000025898304,0.000010913948],"domain_scores_gemma":[0.9999356,0.000012273514,0.000019361205,0.000005881095,0.000010688521,0.000016131353],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00013152651,0.00019200896,0.00024932687,0.00011406332,0.00020827373,0.00031333044,0.0003439503,0.0001638664,0.001024749],"category_scores_gemma":[0.00015618849,0.00017253964,0.00008915494,0.0003315222,0.00013969548,0.0001804265,0.00013090478,0.0004713154,0.00021317619],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0003033272,0.0001250923,0.0006847361,0.00018230092,0.000037059326,0.00016233893,0.00010015805,0.004597778,0.9852856,0.0009384366,0.00077362015,0.00680962],"study_design_scores_gemma":[0.00013405208,0.00048181327,0.0033974403,0.0000130328135,0.000050754523,0.00033803564,0.00006602551,0.009935297,0.97464085,0.00011463983,0.010799803,0.000028262162],"about_ca_topic_score_codex":0.0016302158,"about_ca_topic_score_gemma":0.0029871217,"teacher_disagreement_score":0.0016302158,"about_ca_system_score_codex":0.00059780036,"about_ca_system_score_gemma":0.00025252285,"threshold_uncertainty_score":0.0043373704},"labels":[],"label_agreement":null},{"id":"W1977157635","doi":"10.1007/s10870-008-9489-5","title":"Crystal Structures of a Series of Bis{(2-Aminobenzoyl-)amino}alkanes","year":2008,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":4,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Saint Mary's University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Monoclinic crystal system; Orthorhombic crystal system; Crystallography; Crystal structure; Chemistry; Molecule; Crystal (programming language); Stereochemistry; Organic chemistry","score_opus":0.011603913341264661,"score_gpt":0.2186443010638439,"score_spread":0.20704038772257924,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W1977157635","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.98712486,0.0026333695,0.002067524,0.00045155454,0.00009658981,0.00004634151,0.0014223628,0.00017331915,0.0059840744],"genre_scores_gemma":[0.9785333,0.0031583263,0.006131934,0.00024233389,0.000025256995,0.000096910866,0.005160994,0.0000565939,0.0065942793],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99991226,0.000012999125,0.00000620436,0.0000111161635,0.000043445278,0.000014072424],"domain_scores_gemma":[0.9998727,0.000032509808,0.000028926765,0.000005094418,0.00003117696,0.000029535098],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00013087284,0.00026399284,0.00025936315,0.00018089748,0.00029648127,0.00038284535,0.00031851747,0.00022481086,0.002369067],"category_scores_gemma":[0.00027727202,0.00018232715,0.0000835879,0.0002804042,0.00016504577,0.0002761034,0.00012121377,0.0008420123,0.0003862902],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00080421334,0.0003989135,0.002063903,0.00041361482,0.000045234,0.00030961924,0.00016201421,0.006403467,0.9663155,0.005026448,0.006780896,0.01127621],"study_design_scores_gemma":[0.0005145378,0.00048205335,0.0072097927,0.000048765032,0.00008236782,0.0006521703,0.00026197667,0.026981112,0.9235429,0.0012605792,0.038906973,0.000056677018],"about_ca_topic_score_codex":0.0023264184,"about_ca_topic_score_gemma":0.0051449486,"teacher_disagreement_score":0.002369067,"about_ca_system_score_codex":0.0006155728,"about_ca_system_score_gemma":0.00053942896,"threshold_uncertainty_score":0.007925332},"labels":[],"label_agreement":null},{"id":"W1978746883","doi":"10.1007/s10870-008-9353-7","title":"Inter- and Intra-Molecular Hydrogen Bonding in Bis(2-amino-5-fluoro-3-methylphenyl)disulfide","year":2008,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Windsor","funders":"","keywords":"Hydrogen bond; Chemistry; Monoclinic crystal system; Intramolecular force; Crystal structure; Crystallography; Supramolecular chemistry; Organometallic chemistry; Intermolecular force; Stereochemistry; Molecule; Proton NMR; Organic chemistry","score_opus":0.007903997700022068,"score_gpt":0.22237081987864038,"score_spread":0.21446682217861832,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W1978746883","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.99519265,0.00036750574,0.0012521235,0.00011551515,0.00001995842,0.000005242033,0.000022119679,0.00003061416,0.0029942328],"genre_scores_gemma":[0.99864,0.00018821658,0.00036815347,0.000034007386,0.0000046532014,0.0000053529675,0.00003558984,0.000004487735,0.0007195973],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999386,0.000016102966,0.000001813262,0.000007989965,0.000018667444,0.00001674089],"domain_scores_gemma":[0.99993396,0.00001755771,0.000012674006,0.000004624815,0.0000074219347,0.000023821329],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001467616,0.00016091841,0.0001654736,0.00011796553,0.0005288084,0.00023681672,0.0003727878,0.00022325708,0.001816907],"category_scores_gemma":[0.00014979455,0.00012608107,0.00007418199,0.00013650542,0.0002513274,0.00036161486,0.0002961448,0.00045457674,0.00014625407],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0016203736,0.00047004336,0.0042202584,0.00036978547,0.00009845183,0.0014778898,0.0008628746,0.014122217,0.9227859,0.01600017,0.0030141,0.03495794],"study_design_scores_gemma":[0.0003822465,0.0015602909,0.016082784,0.00006317973,0.00009965773,0.00074765115,0.0011434149,0.084868446,0.87734705,0.0046240166,0.0130051775,0.00007604305],"about_ca_topic_score_codex":0.00083138957,"about_ca_topic_score_gemma":0.0013848342,"teacher_disagreement_score":0.001816907,"about_ca_system_score_codex":0.00022093978,"about_ca_system_score_gemma":0.00017408443,"threshold_uncertainty_score":0.006078124},"labels":[],"label_agreement":null},{"id":"W1982806351","doi":"10.1007/s10870-009-9533-0","title":"Solid State Structure of 6,7-Dihydro-1,4-Di(2′-Pyridyl)-5H-Cyclopenta[d]Pyridazine","year":2009,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Synthesis and Reactivity of Heterocycles","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Memorial University of Newfoundland","funders":"","keywords":"Pyridazine; Triclinic crystal system; Chemistry; Crystallography; Organometallic chemistry; Crystal structure; Dimer; Ligand (biochemistry); Molecule; Stereochemistry; X-ray crystallography; Diffraction; Physics","score_opus":0.0059180779229288365,"score_gpt":0.24564800368913334,"score_spread":0.2397299257662045,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W1982806351","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.979928,0.0009330401,0.0024253458,0.00048799274,0.00006163657,0.000019559719,0.0011566937,0.0001539552,0.014833706],"genre_scores_gemma":[0.9963899,0.0001759265,0.0006211392,0.000026003734,0.0000029101132,0.0000053986455,0.0004722742,0.000009052125,0.002297275],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999604,0.00000614779,0.0000014223892,0.000008308492,0.0000110742885,0.000012652832],"domain_scores_gemma":[0.99996054,0.000012801543,0.000006186579,0.000004736548,0.000006493442,0.000009296628],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000060207167,0.00009245992,0.00022955354,0.00013973584,0.00033326418,0.00054421765,0.0004897987,0.00026430388,0.0039617545],"category_scores_gemma":[0.00012729854,0.00010872478,0.00007114698,0.0001288005,0.0002681705,0.00025189333,0.00012135879,0.00036893363,0.00031384945],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.001992356,0.00041199292,0.001638987,0.00047181288,0.000066882014,0.0014203736,0.0005670038,0.019267984,0.8906873,0.059110876,0.00780286,0.016561544],"study_design_scores_gemma":[0.00048330266,0.0018711353,0.008222905,0.000044203458,0.0000663172,0.0006414032,0.00037911945,0.07544516,0.8752571,0.0040928777,0.03338078,0.00011570305],"about_ca_topic_score_codex":0.003129351,"about_ca_topic_score_gemma":0.0032816804,"teacher_disagreement_score":0.0039617545,"about_ca_system_score_codex":0.0006868803,"about_ca_system_score_gemma":0.000419957,"threshold_uncertainty_score":0.013253331},"labels":[],"label_agreement":null},{"id":"W1988477644","doi":"10.1007/s10870-007-9212-y","title":"Synthesis and X-ray Crystal Structures of Two Luminescent Imidazopyridinium Derivatives from the Corresponding N-(aryl)-Pyridine-2-aldimines","year":2007,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Synthesis and Reactions of Organic Compounds","field":"Chemistry","cited_by":5,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Memorial University of Newfoundland","funders":"","keywords":"Aldimine; Chemistry; Pyridine; Perchlorate; Pyridinium; Hydrogen bond; Crystal structure; Aryl; Stereochemistry; Medicinal chemistry; Crystallography; Molecule; Catalysis; Organic chemistry; Ion","score_opus":0.011204819234356176,"score_gpt":0.2434183574118967,"score_spread":0.23221353817754053,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W1988477644","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.98715496,0.0010169157,0.0037008019,0.00035815017,0.00006667738,0.00006670842,0.001063769,0.0001157923,0.00645616],"genre_scores_gemma":[0.98046917,0.0009438934,0.011891688,0.00007432812,0.000013360834,0.000064319,0.0020548287,0.00003964023,0.0044488325],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99991655,0.00000878555,0.000007960764,0.000013879795,0.00002956965,0.000023221397],"domain_scores_gemma":[0.9998852,0.000024949897,0.000029446957,0.000013064106,0.00002026697,0.000027059312],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00014322571,0.00021822208,0.00024193556,0.00015671195,0.00019894436,0.0004767126,0.0006696896,0.00028071555,0.0023789112],"category_scores_gemma":[0.00034126153,0.00029806187,0.00009521033,0.0002429202,0.0002599883,0.0002314517,0.000118653814,0.0008825206,0.00034958238],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00048263837,0.000100266996,0.0004894816,0.0002651335,0.000015194693,0.00043041323,0.00014203555,0.0015653077,0.98688424,0.002676454,0.0011633489,0.005785533],"study_design_scores_gemma":[0.00027101132,0.00020718668,0.0032770943,0.000010677854,0.000020993833,0.00034476724,0.000066344415,0.0046937107,0.9828552,0.00021196067,0.00801797,0.000023087625],"about_ca_topic_score_codex":0.0017681953,"about_ca_topic_score_gemma":0.0017476568,"teacher_disagreement_score":0.0023789112,"about_ca_system_score_codex":0.00081144215,"about_ca_system_score_gemma":0.00045980836,"threshold_uncertainty_score":0.007958233},"labels":[],"label_agreement":null},{"id":"W1989241851","doi":"10.1007/s10870-014-0493-7","title":"Single Crystal Structural Characterization of Trichlorotetrapyridylbismuth(III) and Its Pyridine Solvate","year":2014,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":6,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Wilfrid Laurier University; Memorial University of Newfoundland","funders":"","keywords":"Pentagonal bipyramidal molecular geometry; Isostructural; Chemistry; Pyridine; Crystallography; Organometallic chemistry; Solvation; Crystal structure; Stacking; Bipyramid; Lanthanide; Trigonal bipyramidal molecular geometry; Stereochemistry; Single crystal; Molecule; Medicinal chemistry; Organic chemistry; Ion","score_opus":0.007377213478970255,"score_gpt":0.20780707811781482,"score_spread":0.20042986463884457,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W1989241851","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.99639183,0.00039603777,0.0007546471,0.000060307717,0.0000078098365,0.0000060541815,0.00038515878,0.000024280553,0.001973818],"genre_scores_gemma":[0.9965714,0.00017715927,0.0008236357,0.00001511371,0.0000020741486,0.000007810775,0.000595496,0.000010971157,0.0017963876],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999404,0.0000049685623,0.000002780755,0.000011698889,0.00002823615,0.000011962062],"domain_scores_gemma":[0.9999517,0.000010736485,0.000008438149,0.0000042282,0.000016029877,0.00000888683],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00006705099,0.00007880744,0.00012086312,0.000092792914,0.00018505187,0.00017676402,0.00030508384,0.00015490288,0.0020939081],"category_scores_gemma":[0.00016844609,0.000085944004,0.000064003274,0.0001724689,0.00011309161,0.00011670058,0.00011546053,0.00022758063,0.0001772719],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00010221803,0.000017475422,0.0002957692,0.000059310816,0.000005186883,0.000083782805,0.000049144237,0.00027440637,0.99662846,0.00020318558,0.00022803042,0.0020530669],"study_design_scores_gemma":[0.00001559561,0.000127287,0.0032356747,0.0000036732683,0.000007174469,0.00015074159,0.00009239886,0.002286571,0.99205375,0.000042758937,0.0019787075,0.0000056434396],"about_ca_topic_score_codex":0.0020598893,"about_ca_topic_score_gemma":0.0020414423,"teacher_disagreement_score":0.0020939081,"about_ca_system_score_codex":0.00024138627,"about_ca_system_score_gemma":0.0001832949,"threshold_uncertainty_score":0.007004857},"labels":[],"label_agreement":null},{"id":"W1998680016","doi":"10.1007/s10870-006-9107-3","title":"Triethyl ammonium salt of O,O′-bis(p-tolyl)dithiophosphate, [Et3NH]+[(4-MeC6H4O)2PS2]−","year":2006,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Organometallic Compounds Synthesis and Characterization","field":"Chemistry","cited_by":16,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Windsor","funders":"","keywords":"Chemistry; Salt (chemistry); Monoclinic crystal system; Ammonium; Toluene; Organometallic chemistry; Crystal structure; Elemental analysis; Nuclear chemistry; Medicinal chemistry; Inorganic chemistry; Crystallography; Organic chemistry","score_opus":0.004161865284395737,"score_gpt":0.18453990117471047,"score_spread":0.18037803589031473,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W1998680016","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.95004255,0.0034347111,0.014093781,0.0005826559,0.0005393635,0.0003142802,0.0025533626,0.0009005871,0.02753867],"genre_scores_gemma":[0.9710391,0.0014879127,0.0057312394,0.00012955973,0.000066560366,0.00009583394,0.0032244758,0.000073324285,0.018151902],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9998859,0.00001270417,0.000011139303,0.000025660092,0.000032946642,0.000031720847],"domain_scores_gemma":[0.9999095,0.000022017777,0.000013754426,0.000013517261,0.000013181136,0.000028013465],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002159451,0.00036037542,0.0003566276,0.00015556556,0.00023298962,0.00024377844,0.00074602047,0.00028368045,0.0033434946],"category_scores_gemma":[0.00022459298,0.00018415926,0.000096532065,0.00025268373,0.0001593088,0.00022571164,0.00017346887,0.00057211507,0.0008786208],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0005269226,0.00003995675,0.000103951934,0.00015717364,0.000015745336,0.000104361374,0.000024836698,0.0001569729,0.9966918,0.00035908213,0.0003287961,0.0014903541],"study_design_scores_gemma":[0.00011835145,0.00029616305,0.00058414676,0.000010506212,0.000027997707,0.00022721277,0.000020940817,0.0005528945,0.99186325,0.00007123134,0.0062190495,0.000008146578],"about_ca_topic_score_codex":0.001927949,"about_ca_topic_score_gemma":0.0021624484,"teacher_disagreement_score":0.0033434946,"about_ca_system_score_codex":0.00038900133,"about_ca_system_score_gemma":0.0007479506,"threshold_uncertainty_score":0.01118511},"labels":[],"label_agreement":null},{"id":"W2007265667","doi":"10.1007/s10870-007-9219-4","title":"Isolation and Crystal Structure of [Cu(L1)(O2CH)](ClO4) · H2O: Hydrolysis of DMF (N,N-Dimethylformamide) by a Copper(II) Tetraazamacrocycle","year":2007,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Metal complexes synthesis and properties","field":"Medicine","cited_by":9,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Toronto","funders":"","keywords":"Chemistry; Copper; Square pyramid; Perchlorate; Crystal structure; Organometallic chemistry; Crystallography; Formate; Ligand (biochemistry); Cyclohexane; Ion; Hydrolysis; Coordination geometry; Macrocyclic ligand; Dimethylformamide; Inorganic chemistry; Catalysis; Molecule; Hydrogen bond; Organic chemistry; Solvent","score_opus":0.009491531131584718,"score_gpt":0.23867979778560144,"score_spread":0.22918826665401673,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2007265667","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9816373,0.0023189215,0.0033162134,0.00063334056,0.00007976886,0.00007715796,0.0035688558,0.00036940986,0.007998941],"genre_scores_gemma":[0.98083353,0.00086640375,0.0078443885,0.00011760742,0.00003945258,0.00004484454,0.0044181193,0.00005998928,0.0057758405],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99993265,0.0000058967357,0.0000063980383,0.000018278744,0.00001803821,0.000018742343],"domain_scores_gemma":[0.9998927,0.000018900693,0.00002379755,0.000009843,0.000026302801,0.000028394823],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001248143,0.00017187331,0.0002480432,0.00018744875,0.00029838487,0.0003181803,0.0006877053,0.00041355772,0.0019656883],"category_scores_gemma":[0.00028082074,0.00021361852,0.0000792424,0.00026992554,0.00017824971,0.00013755636,0.00010028811,0.00052338466,0.0005966469],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00045963598,0.00011193264,0.0008137431,0.00025646354,0.000014891084,0.0003370841,0.00013012651,0.00050464435,0.9858655,0.0006058494,0.0028664009,0.008033693],"study_design_scores_gemma":[0.0002913511,0.0003406737,0.014076459,0.000027715241,0.000051023893,0.0010138835,0.00019737694,0.0035369755,0.95340294,0.00019304465,0.026820548,0.000048081947],"about_ca_topic_score_codex":0.0086337635,"about_ca_topic_score_gemma":0.005997748,"teacher_disagreement_score":0.0086337635,"about_ca_system_score_codex":0.0006239244,"about_ca_system_score_gemma":0.00045986974,"threshold_uncertainty_score":0.017167032},"labels":[],"label_agreement":null},{"id":"W2008719785","doi":"10.1007/s10870-014-0518-2","title":"Synthesis and Crystal Structures of a Series of Novel Cyclobutanone Derivatives","year":2014,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Calgary","funders":"","keywords":"Triclinic crystal system; Monoclinic crystal system; Cyclobutane; Crystal structure; Crystallography; Cyclobutanone; Chemistry; Hydrogen bond; Organometallic chemistry; Ring (chemistry); Crystal (programming language); Stereochemistry; Molecule","score_opus":0.008226839721110836,"score_gpt":0.22527157856368651,"score_spread":0.2170447388425757,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2008719785","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9773154,0.0055452487,0.003537386,0.00051231956,0.0001309311,0.00013903783,0.0012727771,0.0001015563,0.011445375],"genre_scores_gemma":[0.9756153,0.0059211818,0.008541651,0.00012275012,0.000019628222,0.00011245315,0.0017013026,0.000023144046,0.0079425685],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999553,0.000004403152,0.000004372279,0.000008147455,0.000017973538,0.000009778606],"domain_scores_gemma":[0.99993646,0.000011413092,0.000013540024,0.000008536582,0.000011851813,0.000018249933],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009521632,0.0001585151,0.00017319698,0.00013723079,0.00020548618,0.0003407305,0.00033971286,0.00016317458,0.0025934894],"category_scores_gemma":[0.0001807449,0.00013002662,0.00007541587,0.00021824498,0.0001785142,0.00025357283,0.0001083869,0.0005947743,0.00034750678],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00063972385,0.0003761492,0.0009817029,0.00044572013,0.000030436182,0.0006295197,0.0001796736,0.004874473,0.95836544,0.0062889443,0.0033242616,0.023863927],"study_design_scores_gemma":[0.00044170264,0.000889531,0.0026959418,0.000045542612,0.0000381041,0.00079226604,0.00012209498,0.0075676898,0.9389817,0.0006288835,0.04775473,0.000041906314],"about_ca_topic_score_codex":0.0023278366,"about_ca_topic_score_gemma":0.0055632307,"teacher_disagreement_score":0.0025934894,"about_ca_system_score_codex":0.0006410726,"about_ca_system_score_gemma":0.0005875517,"threshold_uncertainty_score":0.008676052},"labels":[],"label_agreement":null},{"id":"W2009992327","doi":"10.1007/s10870-005-9067-z","title":"Complexes formed by the reactions of fluorinated and non-fluorinated organonitriles with [Zn(SO2)2][AsF6]2: A structural study","year":2006,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Inorganic Fluorides and Related Compounds","field":"Chemistry","cited_by":16,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of New Brunswick","funders":"","keywords":"Monoclinic crystal system; Homoleptic; Chemistry; Crystallography; Zinc; Metal; Organometallic chemistry; Crystal structure; Ligand (biochemistry); Stereochemistry; Organic chemistry","score_opus":0.003903312754283524,"score_gpt":0.20110542594981545,"score_spread":0.19720211319553194,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2009992327","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.99644464,0.0006641227,0.00097319303,0.000040000785,0.00001690011,0.000016082166,0.000117072064,0.000022961078,0.0017051504],"genre_scores_gemma":[0.9968014,0.0003164219,0.000523114,0.000015778696,0.0000030975743,0.0000051198476,0.00025976804,0.000011710354,0.0020636502],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99984026,0.000026114194,0.000008985851,0.000027836828,0.00005059188,0.000046330715],"domain_scores_gemma":[0.9998939,0.000021832699,0.00003398591,0.000008297647,0.000022295158,0.000019641062],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002612825,0.00028369992,0.00032480445,0.00014541276,0.00019537119,0.00033946274,0.00044963916,0.00028937156,0.0014587784],"category_scores_gemma":[0.00031614202,0.00018684134,0.00013660308,0.0001960026,0.00027240018,0.00029686934,0.0001427816,0.00023301585,0.00015108199],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0016207873,0.00009968853,0.001182307,0.00018971127,0.00006805153,0.00014346882,0.00022482606,0.0009254077,0.9919144,0.0012333923,0.000266401,0.0021314938],"study_design_scores_gemma":[0.000075676566,0.00025429114,0.0025241296,0.0000074292398,0.00002729659,0.00021870295,0.00007366693,0.00128814,0.9927085,0.00010347183,0.002701529,0.000017282513],"about_ca_topic_score_codex":0.002395804,"about_ca_topic_score_gemma":0.0021027406,"teacher_disagreement_score":0.002395804,"about_ca_system_score_codex":0.0004347784,"about_ca_system_score_gemma":0.00018963765,"threshold_uncertainty_score":0.0048800707},"labels":[],"label_agreement":null},{"id":"W2010884756","doi":"10.1007/s10870-014-0552-0","title":"Syntheses and Crystal Structures of Four Novel Thiophene/Phenyl-Piperidine Hybrid Chalcones","year":2014,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Calgary","funders":"","keywords":"Piperidine; Thiophene; Chemistry; Hydrogen bond; Crystal structure; Benzene; Cyclohexane conformation; Ring (chemistry); Molecule; Stereochemistry; Aromaticity; Organometallic chemistry; Crystallography; Medicinal chemistry; Organic chemistry","score_opus":0.020030008654325755,"score_gpt":0.2146296310290181,"score_spread":0.19459962237469236,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2010884756","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.98180276,0.0015732844,0.008177644,0.00016289737,0.000045189387,0.00013541758,0.00158514,0.00030531085,0.0062123747],"genre_scores_gemma":[0.97220755,0.0017753671,0.015420811,0.00005819278,0.000013112325,0.0001317561,0.0027609745,0.0000521681,0.007580095],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99994314,0.000007069014,0.0000052572395,0.000008823518,0.000022474258,0.000013175245],"domain_scores_gemma":[0.9999218,0.000011111977,0.000013865488,0.000011619704,0.000019487254,0.000022187221],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009858488,0.00024319459,0.0002382878,0.00026414366,0.00024850524,0.0003382276,0.0004453823,0.00018295948,0.0033238935],"category_scores_gemma":[0.00016317521,0.00018375619,0.00010549233,0.00058713235,0.0001730547,0.00019731894,0.0001499263,0.00047257458,0.00067091745],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0002960076,0.0001092988,0.0004194973,0.00026638006,0.000024837698,0.0003928014,0.00010487292,0.0034069328,0.9732574,0.0018341963,0.0014913263,0.018396538],"study_design_scores_gemma":[0.00014840337,0.00052790175,0.0018850322,0.000015270507,0.000030496238,0.00037076703,0.0000911306,0.0059088427,0.97441226,0.0002141511,0.016366366,0.000029196504],"about_ca_topic_score_codex":0.0014387257,"about_ca_topic_score_gemma":0.0042169234,"teacher_disagreement_score":0.0033238935,"about_ca_system_score_codex":0.00048390165,"about_ca_system_score_gemma":0.0004322735,"threshold_uncertainty_score":0.011119485},"labels":[],"label_agreement":null},{"id":"W2010903840","doi":"10.1007/s10870-007-9217-6","title":"Crystal Structure and Vibrational Spectra of Erbium Trisodium Bis(Cyclotriphosphate) Nonahydrate, ErNa3(P3O9)2 · 9H2O","year":2007,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Crystal Structures and Properties","field":"Materials Science","cited_by":4,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Saskatchewan; McGill University","funders":"","keywords":"Dodecahedron; Crystallography; Crystal structure; Chemistry; Molecule; Raman spectroscopy; Physics; Optics","score_opus":0.006000284363960187,"score_gpt":0.2151716180903856,"score_spread":0.2091713337264254,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2010903840","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9934243,0.00080330804,0.0009243713,0.00022448837,0.000037800026,0.000011940983,0.0014255428,0.000067253575,0.0030810055],"genre_scores_gemma":[0.9942483,0.0004117944,0.0013475384,0.00005293208,0.00000861983,0.000020235777,0.0018739003,0.000026930045,0.002009685],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999198,0.000008485442,0.000004834232,0.000019670326,0.000032946373,0.0000142931585],"domain_scores_gemma":[0.99983835,0.0000615549,0.000040251438,0.000010561296,0.000024595874,0.000024720297],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001054896,0.00012808059,0.00016628309,0.00017201446,0.0002582151,0.0002069167,0.0004049576,0.000246066,0.002356726],"category_scores_gemma":[0.00028512947,0.00013658068,0.00006432138,0.0003256149,0.00024083589,0.00014156448,0.00009707902,0.00039622924,0.00018011127],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00046786474,0.00007535774,0.001638429,0.0001582154,0.000016730623,0.00020543166,0.00012858293,0.0009740862,0.9876245,0.0012098163,0.0017457561,0.0057552326],"study_design_scores_gemma":[0.00021221318,0.00039611233,0.026794298,0.000027654798,0.00004509524,0.00054275105,0.00032023274,0.011644955,0.9504513,0.0005077891,0.009018588,0.000039011305],"about_ca_topic_score_codex":0.0028397199,"about_ca_topic_score_gemma":0.0023831849,"teacher_disagreement_score":0.0028397199,"about_ca_system_score_codex":0.00025060883,"about_ca_system_score_gemma":0.00032912762,"threshold_uncertainty_score":0.007884085},"labels":[],"label_agreement":null},{"id":"W2016827169","doi":"10.1023/b:jocc.0000035387.65738.27","title":"Crystal structure of two brom containing aza-tetracyclic fused-ring N-heterocycles including isoxazolidine ring","year":2004,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Synthesis and Catalytic Reactions","field":"Chemistry","cited_by":4,"is_retracted":false,"has_abstract":false,"route_ca_aff":false,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"","funders":"Mersin Üniversitesi; University of Leeds; Ryerson University","keywords":"Monoclinic crystal system; Chemistry; Nitrone; Cycloaddition; Stereochemistry; Crystal structure; Ring (chemistry); Ring size; Cyclohexane conformation; Organometallic chemistry; Single crystal; Crystallography; Molecule; Organic chemistry; Catalysis","score_opus":0.017681897221773216,"score_gpt":0.26445775704491464,"score_spread":0.24677585982314143,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2016827169","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9911889,0.0022655919,0.000873931,0.00026755204,0.00007075159,0.000024676918,0.0010196738,0.00013908722,0.004149824],"genre_scores_gemma":[0.9923145,0.00089932507,0.0026458888,0.000088664805,0.000014091415,0.00002832949,0.0015788984,0.000018337283,0.0024118943],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99989295,0.000013735125,0.000005228312,0.000024040512,0.000043183463,0.000020911892],"domain_scores_gemma":[0.9999064,0.000028717872,0.000022341499,0.0000055069845,0.000012707726,0.00002424379],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000111853966,0.0001578707,0.00041823435,0.00013970453,0.0003612772,0.00045393888,0.000823771,0.00042637446,0.0022906621],"category_scores_gemma":[0.00018316947,0.00015186916,0.000099702644,0.0002737569,0.00022412321,0.0002093854,0.00014029993,0.0008187782,0.00019696084],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0028517027,0.00034881194,0.0046250704,0.00093342824,0.000108761786,0.0020838913,0.00036203917,0.0068569467,0.9449246,0.006624782,0.008542683,0.021737251],"study_design_scores_gemma":[0.0037750537,0.0032283356,0.04905648,0.00015781911,0.00032974585,0.004421137,0.0010752198,0.096342586,0.7567842,0.0024398183,0.08219453,0.00019503436],"about_ca_topic_score_codex":0.0045452337,"about_ca_topic_score_gemma":0.005207278,"teacher_disagreement_score":0.0045452337,"about_ca_system_score_codex":0.00078799063,"about_ca_system_score_gemma":0.0005798123,"threshold_uncertainty_score":0.009037554},"labels":[],"label_agreement":null},{"id":"W2017333360","doi":"10.1007/s10870-005-2962-5","title":"Crystal structure and physical characterization of N-(3,3-dimethylbutyl)-l-α-aspartyl-l-phenylalanine, the hydrolysis product of neotame","year":2005,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Nutrasource","funders":"U.S. Food and Drug Administration","keywords":"Chemistry; Orthorhombic crystal system; Crystal structure; Crystallography; Molecule; Hydrolysis; Natural bond orbital; Melting point; Phenylalanine; Stereochemistry; Organic chemistry; Amino acid","score_opus":0.0053000925005242385,"score_gpt":0.23387777566827828,"score_spread":0.22857768316775404,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2017333360","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.99443924,0.0007187402,0.0012328879,0.00017291846,0.000022320648,0.000013865658,0.0010242349,0.000030756557,0.0023451343],"genre_scores_gemma":[0.99393713,0.00034534716,0.0016273661,0.000044381883,0.0000063364773,0.000013214366,0.0017219791,0.000012272984,0.0022920198],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99993837,0.000007421288,0.000005329589,0.000012387093,0.000025919768,0.000010543001],"domain_scores_gemma":[0.99978966,0.000060399387,0.0000521949,0.000014925621,0.000045047025,0.0000378093],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00010625151,0.00013904562,0.00016239678,0.000102577076,0.00019135831,0.00024768754,0.0003889329,0.00025341066,0.00088292477],"category_scores_gemma":[0.00032361754,0.00012605258,0.00012856809,0.00016574032,0.00019832976,0.00011493819,0.000077275916,0.0004351972,0.00024747342],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00041917854,0.00010820592,0.001402199,0.000063110354,0.000010590734,0.00038469784,0.00006101863,0.00085914676,0.9928844,0.00042655572,0.0004990933,0.0028818212],"study_design_scores_gemma":[0.00015399045,0.0003131979,0.021752367,0.000012777554,0.000034102995,0.001170708,0.00018638303,0.008777903,0.95711756,0.00019078769,0.010268993,0.00002121918],"about_ca_topic_score_codex":0.0034402418,"about_ca_topic_score_gemma":0.003130882,"teacher_disagreement_score":0.0034402418,"about_ca_system_score_codex":0.00039435958,"about_ca_system_score_gemma":0.00025124644,"threshold_uncertainty_score":0.006840408},"labels":[],"label_agreement":null},{"id":"W2017826520","doi":"10.1007/s10870-011-0129-0","title":"1D Supramolecules Self-Assembled by Nickel(II) Macrocycles with Carboxylate Ligands","year":2011,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Supramolecular Chemistry and Complexes","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Toronto","funders":"","keywords":"Carboxylate; Hydrogen bond; Nickel; Chemistry; Denticity; Organometallic chemistry; Crystallography; Stereochemistry; Molecule; Crystal structure; Organic chemistry","score_opus":0.006757700242308773,"score_gpt":0.1850103658225299,"score_spread":0.17825266558022113,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2017826520","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.99266195,0.00068432675,0.0021056908,0.00010124237,0.000039633203,0.000024340748,0.00006254707,0.00018813407,0.0041321735],"genre_scores_gemma":[0.995385,0.00023732313,0.0015832961,0.000084707855,0.000014770727,0.00004385103,0.00010044956,0.000018064107,0.0025325285],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999087,0.00001164982,0.0000068989207,0.000020571442,0.000018413744,0.00003376933],"domain_scores_gemma":[0.9999391,0.000007701139,0.0000146292405,0.000006620064,0.0000054346115,0.000026465565],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000093198265,0.00023630902,0.00029960065,0.00019374817,0.00021017887,0.00044273687,0.00030344143,0.0002828179,0.0015293871],"category_scores_gemma":[0.0001351075,0.00022545201,0.00013677617,0.00010186249,0.00023811472,0.00027382348,0.00035565844,0.00024459005,0.0004835406],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00015535693,0.000027636912,0.0001424222,0.00006072573,0.000009477476,0.00007603801,0.000069464084,0.00047461622,0.99528354,0.00088266947,0.00021892111,0.0025991523],"study_design_scores_gemma":[0.000054975982,0.0003101435,0.0013021765,0.000010577597,0.000016022284,0.000082422775,0.00005133952,0.003073018,0.98922825,0.00027505902,0.0055749333,0.00002108266],"about_ca_topic_score_codex":0.00029723044,"about_ca_topic_score_gemma":0.0008879729,"teacher_disagreement_score":0.0015293871,"about_ca_system_score_codex":0.00040853934,"about_ca_system_score_gemma":0.00015779636,"threshold_uncertainty_score":0.0051163435},"labels":[],"label_agreement":null},{"id":"W2018727520","doi":"10.1007/s10870-005-4551-z","title":"Crystal structure, vibrational spectra and thermal decomposition study of a new, dicationic, acidic pyrophosphate: KHMgP2O7⋅2H2O","year":2005,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Crystal Structures and Properties","field":"Materials Science","cited_by":12,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Université de Montréal; McGill University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Raman spectroscopy; Crystallography; Crystal structure; Hydrogen bond; Thermal decomposition; Octahedron; Infrared spectroscopy; Aqueous solution; Amorphous solid; Salt (chemistry); Pyrophosphate; Powder diffraction; X-ray crystallography; Molecule; Physical chemistry; Diffraction; Organic chemistry","score_opus":0.00793577401646917,"score_gpt":0.2382609003487773,"score_spread":0.23032512633230814,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2018727520","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9983,0.00030947526,0.0004890648,0.000059359554,0.000008913623,0.0000071971485,0.00018085408,0.000012228783,0.00063287996],"genre_scores_gemma":[0.9980562,0.0001744654,0.0007969294,0.000017897844,0.000004116539,0.000006427727,0.00038353447,0.000006756479,0.00055356807],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999403,0.000004106269,0.000004217652,0.000015079599,0.00002809218,0.000008219335],"domain_scores_gemma":[0.999923,0.000015630225,0.000017726707,0.000006526306,0.000014671605,0.000022411907],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000075878925,0.0000845075,0.00011569097,0.00012294967,0.00013752801,0.00014742586,0.00029670776,0.00014834583,0.000846314],"category_scores_gemma":[0.00017908055,0.00009424524,0.00005742071,0.00018710036,0.00027811102,0.000129521,0.00011124956,0.00038334168,0.00009188588],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00030448398,0.000045166616,0.0012296689,0.00014175494,0.0000099808085,0.0001319605,0.00008066961,0.00035994532,0.99349,0.0003215032,0.0002640659,0.003620787],"study_design_scores_gemma":[0.00022010157,0.00065498287,0.018746896,0.0000110295805,0.000045646982,0.0012258076,0.0002323548,0.0044136145,0.9652453,0.00026600208,0.008917499,0.000020650607],"about_ca_topic_score_codex":0.00095230155,"about_ca_topic_score_gemma":0.0008553528,"teacher_disagreement_score":0.00095230155,"about_ca_system_score_codex":0.00013049912,"about_ca_system_score_gemma":0.00020219362,"threshold_uncertainty_score":0.0028312206},"labels":[],"label_agreement":null},{"id":"W2019425010","doi":"10.1007/s10870-009-9532-1","title":"Crystal Structure of Hydrated Potassium Pentafluorophenolate: Interactions Between Fluorine Atoms and Metal Ions","year":2009,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Fluorine in Organic Chemistry","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":3,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of New Brunswick; Université de Sherbrooke","funders":"Natural Sciences and Engineering Research Council of Canada; Fonds Québécois de la Recherche sur la Nature et les Technologies","keywords":"Chemistry; Monoclinic crystal system; Crystallography; Crystal structure; Stacking; Organometallic chemistry; Molecule; Hydrogen bond; Fluorine; Metal; Coordination sphere; Potassium; Ion; Atom (system on chip); Organic chemistry","score_opus":0.031439270228037726,"score_gpt":0.3545437065232759,"score_spread":0.32310443629523816,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2019425010","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9725752,0.0031372316,0.0058639375,0.0019638436,0.0002477969,0.0000716453,0.0053890916,0.0008090918,0.009942167],"genre_scores_gemma":[0.97517765,0.0029610791,0.008313002,0.00035060348,0.00003958694,0.0000791395,0.0066767433,0.00009038238,0.006311733],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99990404,0.0000135070595,0.000003676538,0.000015747437,0.000039707822,0.000023263397],"domain_scores_gemma":[0.99986756,0.000046506753,0.000020811605,0.0000070541823,0.00002809831,0.000029863664],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00017659437,0.0003299224,0.00066315325,0.00013777977,0.00058541604,0.0005728711,0.0010941749,0.000615784,0.0031833532],"category_scores_gemma":[0.00040583214,0.00024616855,0.00012570042,0.00038544467,0.00027583845,0.00027930198,0.00019961984,0.0012648628,0.00036637345],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.006239911,0.00067169254,0.0089807045,0.0022772984,0.00030974313,0.0041897353,0.0013753953,0.031658225,0.73995036,0.01632761,0.09676451,0.09125488],"study_design_scores_gemma":[0.0049555306,0.002792263,0.051293973,0.0004408492,0.0005846137,0.0068877605,0.0031210906,0.19611539,0.5106487,0.008362143,0.21422255,0.00057505554],"about_ca_topic_score_codex":0.014396883,"about_ca_topic_score_gemma":0.009519072,"teacher_disagreement_score":0.014396883,"about_ca_system_score_codex":0.0007315825,"about_ca_system_score_gemma":0.0012128581,"threshold_uncertainty_score":0.028626144},"labels":[],"label_agreement":null},{"id":"W2019428953","doi":"10.1007/s10870-012-0316-7","title":"Acetate Bridged Trinuclear Zn, Ca and Mg Metal Complexes with 2- and 4-Substituted Pyridines","year":2012,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Metal complexes synthesis and properties","field":"Medicine","cited_by":10,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Toronto","funders":"","keywords":"Monoclinic crystal system; Chemistry; Crystallography; Orthorhombic crystal system; Organometallic chemistry; Crystal structure; 2-Aminopyridine; Moiety; Dimer; Group (periodic table); Stereochemistry; Medicinal chemistry; Organic chemistry","score_opus":0.0283697343252136,"score_gpt":0.2453126248864886,"score_spread":0.21694289056127503,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2019428953","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.984855,0.002468709,0.0023877143,0.00013252391,0.00011640359,0.000044431545,0.00021430041,0.00019743406,0.009583568],"genre_scores_gemma":[0.9930593,0.0007476912,0.0016142615,0.000050005725,0.000011519307,0.000023814264,0.00020258906,0.000021402066,0.0042696074],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99981576,0.000043950473,0.00001298937,0.00002758099,0.000040715324,0.00005893126],"domain_scores_gemma":[0.9999504,0.00000945443,0.000010292543,0.0000109615385,0.000007002384,0.0000118452435],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00019369053,0.00026350372,0.00056360115,0.0001668485,0.0003084451,0.00032411527,0.0011356625,0.0002686078,0.0033190523],"category_scores_gemma":[0.0002592462,0.00017156517,0.00009738118,0.00031989056,0.0002482521,0.00021754547,0.0005753743,0.00030602972,0.00043559613],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.004268724,0.00017342527,0.0005965455,0.00094385457,0.00006582362,0.0005278613,0.00044840615,0.0027873495,0.9584994,0.0058890833,0.0026709286,0.02312862],"study_design_scores_gemma":[0.00017185716,0.0011546256,0.0010889565,0.00003448819,0.00004704873,0.0002840832,0.00010806939,0.004134474,0.97714365,0.00033029015,0.015472493,0.000029999199],"about_ca_topic_score_codex":0.0023133557,"about_ca_topic_score_gemma":0.003961256,"teacher_disagreement_score":0.0033190523,"about_ca_system_score_codex":0.000521072,"about_ca_system_score_gemma":0.00029993986,"threshold_uncertainty_score":0.011103332},"labels":[],"label_agreement":null},{"id":"W2019742631","doi":"10.1007/s10870-004-7724-2","title":"Unique coordination in metal nitroprussides: The structure of Cu[Fe(CN)5NO]?2H2O and Cu[Fe(CN)5NO]","year":2004,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"X-ray Diffraction in Crystallography","field":"Materials Science","cited_by":37,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Guelph","funders":"","keywords":"Orthorhombic crystal system; Chemistry; Crystallography; Crystal structure; Tetragonal crystal system; Organometallic chemistry; Metal; Copper; Anhydrous; Rietveld refinement; Hydrate; Atom (system on chip)","score_opus":0.008094935315114675,"score_gpt":0.24187713754350018,"score_spread":0.2337822022283855,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2019742631","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9940865,0.00076022255,0.0014530572,0.00014944651,0.000032077885,0.000013657149,0.000063017294,0.00006532241,0.0033766974],"genre_scores_gemma":[0.99718827,0.00023133568,0.0012669546,0.000047523547,0.000009183351,0.0000066761513,0.00011457659,0.000008710557,0.0011267859],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99992394,0.000012126738,0.0000033466986,0.000021967964,0.000022174368,0.000016504258],"domain_scores_gemma":[0.99995327,0.0000049233918,0.000011459025,0.000005794704,0.000007593713,0.000016927897],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00012500034,0.00014097715,0.00026816304,0.00011148765,0.00029933854,0.00026720166,0.0006101842,0.00027015546,0.0005930968],"category_scores_gemma":[0.00013566934,0.00018521903,0.000058330967,0.00010442761,0.0003532914,0.00014726639,0.00022741103,0.00023558686,0.00009352071],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0010305591,0.00007454823,0.0015434289,0.00039167574,0.000046493507,0.0008142328,0.00033853578,0.0035972844,0.9717881,0.0051482474,0.0018648793,0.013362104],"study_design_scores_gemma":[0.0006408795,0.0011972903,0.018660692,0.0000440852,0.00012497808,0.0026243164,0.0005126075,0.034191284,0.90096503,0.0043718694,0.036579162,0.00008779647],"about_ca_topic_score_codex":0.0025227293,"about_ca_topic_score_gemma":0.003670475,"teacher_disagreement_score":0.0025227293,"about_ca_system_score_codex":0.0003377274,"about_ca_system_score_gemma":0.00020358997,"threshold_uncertainty_score":0.005016029},"labels":[],"label_agreement":null},{"id":"W2022106576","doi":"10.1007/s10870-005-3249-6","title":"Methyl 4-((E)-2-{3-[(3-{ (E)-2-[4-(methoxycarbonyl)phenyl]- 1-diazenyl}-5,5-dimethylhexahydro-1-pyrimidinyl)methyl]-5,5-dimethylhexahydro-1-pyrimidinyl-1-diazenyl) benzoate. X-ray crystal structure","year":2005,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Synthesis and Reactivity of Heterocycles","field":"Chemistry","cited_by":6,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Saint Mary's University","funders":"","keywords":"Triclinic crystal system; Chemistry; Triazene; Crystal structure; Molecule; Crystallography; Stereochemistry; van der Waals force; Organometallic chemistry; Organic chemistry","score_opus":0.009958401668181722,"score_gpt":0.23127332954516225,"score_spread":0.22131492787698054,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2022106576","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.85225415,0.00885494,0.015682375,0.0019253585,0.00061371125,0.00038315,0.007831048,0.0014994085,0.110955805],"genre_scores_gemma":[0.9347556,0.0039140056,0.0055384645,0.00036349928,0.00004764616,0.00016675105,0.0033197356,0.000083128085,0.051811144],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999051,0.00001112407,0.0000026764226,0.000020931899,0.000023464469,0.000036766633],"domain_scores_gemma":[0.9999554,0.00000571092,0.000008722101,0.0000053956583,0.0000066348293,0.000018054989],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00014027237,0.00017868007,0.00034469034,0.00016760718,0.00023879566,0.00018702564,0.0008095854,0.00026062192,0.010292025],"category_scores_gemma":[0.0001477177,0.00015952859,0.00006599926,0.00022756805,0.00013834903,0.00025888215,0.00018623163,0.00033050354,0.0028773313],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0017327082,0.00022820199,0.00050890655,0.0006164736,0.00004589766,0.00033901766,0.000080693,0.0013542929,0.9552531,0.004816506,0.0117221,0.023301989],"study_design_scores_gemma":[0.00085523207,0.0010429716,0.003913976,0.00005487343,0.000045852492,0.0005168461,0.00010672966,0.0018167851,0.8218083,0.0007780304,0.168988,0.000072430026],"about_ca_topic_score_codex":0.0038511958,"about_ca_topic_score_gemma":0.0049711666,"teacher_disagreement_score":0.010292025,"about_ca_system_score_codex":0.000387713,"about_ca_system_score_gemma":0.0007000213,"threshold_uncertainty_score":0.034430265},"labels":[],"label_agreement":null},{"id":"W2029166642","doi":"10.1007/s10870-010-9892-6","title":"Crystal Structure of Dimerized 1,3-Diisopropyl Carbodiimide","year":2010,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Organometallic Complex Synthesis and Catalysis","field":"Chemistry","cited_by":5,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Carleton University","funders":"","keywords":"Chemistry; Dimer; Carbodiimide; Reactivity (psychology); Organometallic chemistry; Crystal structure; Differential scanning calorimetry; Thermal decomposition; Crystallography; Polymer chemistry; Organic chemistry","score_opus":0.005300032935910163,"score_gpt":0.20609062178662213,"score_spread":0.20079058885071197,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2029166642","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9722477,0.0018353364,0.0026848416,0.0006672922,0.00013057642,0.00006122363,0.0022858302,0.00038255067,0.019704526],"genre_scores_gemma":[0.9796245,0.0014373669,0.0032761684,0.00009429017,0.000017272063,0.00004055768,0.0037009986,0.00007316825,0.011735576],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99995375,0.000002424946,0.000001884888,0.0000116529,0.000020827498,0.000009369344],"domain_scores_gemma":[0.9999517,0.000008400572,0.000009640593,0.0000036538179,0.000008599875,0.00001795593],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000070239934,0.0002000207,0.0002926468,0.00014318898,0.00029549783,0.00048226322,0.00066917186,0.00026267447,0.0033630899],"category_scores_gemma":[0.00015712627,0.00019225867,0.0000663109,0.00026176893,0.00018833394,0.00016272973,0.00009266938,0.0009715488,0.0004899335],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0006851764,0.0003778343,0.0019124262,0.00031213826,0.00002838837,0.0009214017,0.00022888459,0.0039622667,0.96258724,0.006570559,0.008737287,0.013676419],"study_design_scores_gemma":[0.0005128702,0.0002933127,0.017068615,0.0000475061,0.000074763106,0.0009621518,0.00028885234,0.03059048,0.89695984,0.0010253184,0.05211084,0.00006556367],"about_ca_topic_score_codex":0.007932348,"about_ca_topic_score_gemma":0.010318852,"teacher_disagreement_score":0.007932348,"about_ca_system_score_codex":0.0013238519,"about_ca_system_score_gemma":0.0008412067,"threshold_uncertainty_score":0.015772343},"labels":[],"label_agreement":null},{"id":"W2033824391","doi":"10.1007/s10870-008-9346-6","title":"Synthesis and Structure of a Copper Complex of a Macrocyclic Ligand with Dissimilar HN+N(Amino)O2 and N2(Imino)O2 Inners","year":2008,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Metal complexes synthesis and properties","field":"Medicine","cited_by":1,"is_retracted":false,"has_abstract":false,"route_ca_aff":false,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"","funders":"Agence Universitaire de la Francophonie","keywords":"Triclinic crystal system; Crystallography; Chemistry; Crystal structure; Copper; Organometallic chemistry; Ligand (biochemistry); Molecule; Ion; X-ray crystallography; Stereochemistry; Diffraction","score_opus":0.026351031069813634,"score_gpt":0.23392835286462418,"score_spread":0.20757732179481056,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2033824391","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.98403776,0.00061871146,0.004266592,0.000261872,0.0000453478,0.00009797993,0.0005130835,0.0002652332,0.009893433],"genre_scores_gemma":[0.98877245,0.00017497156,0.005748954,0.000050441762,0.000008491194,0.000036036385,0.00030909048,0.00002711927,0.0048724688],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999355,0.000008012573,0.0000041183084,0.00001719999,0.000015958078,0.000019124727],"domain_scores_gemma":[0.9999393,0.00000593403,0.000011572597,0.000011200341,0.000007699239,0.000024182147],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000091190705,0.00015075704,0.0002290922,0.0001964346,0.000644206,0.0002489238,0.0006966219,0.00030517197,0.0019386146],"category_scores_gemma":[0.00016341593,0.00011947001,0.00008185772,0.00022106728,0.00020657014,0.000113944276,0.00014396812,0.00022785095,0.00026709266],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0016871864,0.00019451804,0.0011152813,0.00039582804,0.00003450737,0.0011913783,0.0004287187,0.0042742253,0.9600817,0.008847199,0.0032324758,0.018516958],"study_design_scores_gemma":[0.0002319511,0.0010377736,0.0021621631,0.000018159084,0.000040932897,0.000508285,0.00010658578,0.004560637,0.96424574,0.00046397562,0.026581923,0.000041871397],"about_ca_topic_score_codex":0.0082561495,"about_ca_topic_score_gemma":0.006601441,"teacher_disagreement_score":0.0082561495,"about_ca_system_score_codex":0.0010463488,"about_ca_system_score_gemma":0.0007524557,"threshold_uncertainty_score":0.016416192},"labels":[],"label_agreement":null},{"id":"W2039383815","doi":"10.1007/s10870-005-2800-9","title":"1,4-Di-[2-phenyl-1-diazenyl]perhydro-1,4-diazepine: X-ray crystal structure","year":2005,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Chemical Reactions and Mechanisms","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Saint Mary's University","funders":"Natural Sciences and Engineering Research Council of Canada; Dalhousie University","keywords":"Chemistry; Triazene; Diazepine; Monoclinic crystal system; Crystal structure; Intramolecular force; Ring (chemistry); Cyclohexane conformation; Crystallography; Dihedral angle; Stereochemistry; Iodide; Molecule; Hydrogen bond; Organic chemistry","score_opus":0.005910668752936042,"score_gpt":0.22048540015927026,"score_spread":0.2145747314063342,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2039383815","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.88871324,0.009242776,0.030041002,0.002157365,0.00041779017,0.0006382787,0.015749149,0.0013851853,0.05165525],"genre_scores_gemma":[0.9357971,0.007646308,0.025888192,0.0003646152,0.00006389204,0.0002332407,0.0061423527,0.00007631548,0.023787914],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999275,0.000008125672,0.0000028142406,0.000014380804,0.00002953269,0.000017586572],"domain_scores_gemma":[0.99995947,0.000007131092,0.0000075884022,0.0000040792397,0.00000569365,0.000015988931],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00017611579,0.00019105403,0.0003698536,0.00016365964,0.00018340557,0.00034396027,0.0008083435,0.00024109117,0.0032791253],"category_scores_gemma":[0.00013955847,0.00018471094,0.00004974114,0.00025976382,0.00017549489,0.00021059671,0.00012743603,0.0007617206,0.0013535467],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00077767426,0.00026859588,0.00042945574,0.00046687096,0.000023953686,0.00032004906,0.0000654372,0.0028482832,0.9588872,0.0069399276,0.010449328,0.018523216],"study_design_scores_gemma":[0.00069717475,0.0005099788,0.004248079,0.000026646898,0.00003905702,0.0007992827,0.00008589239,0.0085778,0.8795479,0.0007620309,0.10465376,0.000052318675],"about_ca_topic_score_codex":0.0022182518,"about_ca_topic_score_gemma":0.003310386,"teacher_disagreement_score":0.0032791253,"about_ca_system_score_codex":0.0005763518,"about_ca_system_score_gemma":0.00068244303,"threshold_uncertainty_score":0.010969758},"labels":[],"label_agreement":null},{"id":"W2042719756","doi":"10.1007/s10870-006-9127-z","title":"Crystal structure, vibrational spectra, and thermal decomposition and nitrogen adsorption behaviour of a new tetramanganese(II) dipyrophosphate decahydrate, Mn4(P2O7)2·10H2O","year":2006,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Chemical Synthesis and Characterization","field":"Environmental Science","cited_by":10,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"McGill University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Crystallography; Orthorhombic crystal system; Pyrophosphate; Octahedron; Anhydrous; Raman spectroscopy; Crystal structure; Crystal (programming language)","score_opus":0.0035281205234478233,"score_gpt":0.19230236941158804,"score_spread":0.1887742488881402,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2042719756","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.99848926,0.00018042578,0.00034079383,0.000037335583,0.000007036516,0.000003139128,0.00019078655,0.000012235907,0.0007389475],"genre_scores_gemma":[0.99771845,0.00010920214,0.00047571087,0.0000140468,0.0000035486519,0.000005125799,0.00046523023,0.0000066611824,0.0012021365],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999608,0.000003915788,0.0000025687712,0.000010725294,0.00001564185,0.0000063441844],"domain_scores_gemma":[0.9999473,0.000011842202,0.000014346569,0.0000041958137,0.000010037099,0.000012342394],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000056271616,0.00009653649,0.000069261914,0.00011232221,0.000070577255,0.00008173798,0.00017344175,0.00011656022,0.0010536034],"category_scores_gemma":[0.00013246988,0.00007823239,0.000052253417,0.00007716818,0.0001640135,0.00008042498,0.0000556797,0.0001956706,0.000087065855],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00009750875,0.000016481457,0.0005661573,0.0000338777,0.0000043695636,0.000037864556,0.000019955598,0.00022411009,0.9974281,0.00012217759,0.0001295743,0.0013197465],"study_design_scores_gemma":[0.000041306677,0.00030787065,0.01394967,0.000006534893,0.000021830829,0.00029110105,0.000054914217,0.0047414224,0.9781681,0.00009038365,0.0023180472,0.000008883038],"about_ca_topic_score_codex":0.0011809107,"about_ca_topic_score_gemma":0.0012431081,"teacher_disagreement_score":0.0011809107,"about_ca_system_score_codex":0.00013812588,"about_ca_system_score_gemma":0.00010351351,"threshold_uncertainty_score":0.003524661},"labels":[],"label_agreement":null},{"id":"W2044164761","doi":"10.1007/s10870-005-3248-7","title":"4-(E)-2-[3-(3-[(E)-2-(4-cyanophenyl)-1-diazenyl]hexahydro-1-pyrimidinylmethyl)hexahydro-1-pyrimidinyl]-1diazenylbenzonitrile: X-ray crystal structure","year":2005,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Chemical Reactions and Mechanisms","field":"Chemistry","cited_by":9,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Saint Mary's University","funders":"","keywords":"Chemistry; Monoclinic crystal system; Crystal structure; Crystallography; Molecule; Crystal (programming language); Derivative (finance); Tetracyanoethylene; Intermolecular force; Stacking; Orthorhombic crystal system; Stereochemistry; Medicinal chemistry; Organic chemistry","score_opus":0.00777208554006271,"score_gpt":0.2240693100396763,"score_spread":0.2162972244996136,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2044164761","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.8724601,0.01415042,0.024369517,0.002026383,0.0008772577,0.00040901534,0.005469789,0.001882456,0.078355074],"genre_scores_gemma":[0.94232666,0.007135995,0.011045086,0.00041247657,0.00005471161,0.00016724599,0.0041394057,0.00011902823,0.034599375],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9998702,0.000015428966,0.0000049026394,0.000025763708,0.00003927271,0.000044564884],"domain_scores_gemma":[0.99992967,0.000009252913,0.00001566955,0.000008187812,0.000011935668,0.000025335783],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00023657388,0.00030964956,0.00044349505,0.0001788524,0.00025743022,0.00043945003,0.0010373376,0.00034659263,0.00365807],"category_scores_gemma":[0.00017490853,0.00022088419,0.00008282223,0.00032792115,0.00026865618,0.00038919886,0.00020672717,0.0007312047,0.0016301147],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0009390928,0.00038403875,0.0009273115,0.0007093878,0.000037619022,0.00047444573,0.00011118916,0.0033435544,0.9543533,0.009643792,0.0077042,0.02137206],"study_design_scores_gemma":[0.00035634014,0.0003924612,0.003955244,0.000042192503,0.000025484012,0.00049197086,0.000086746375,0.0043137893,0.9124854,0.0005295279,0.07725343,0.00006744755],"about_ca_topic_score_codex":0.0051493268,"about_ca_topic_score_gemma":0.0062666116,"teacher_disagreement_score":0.0051493268,"about_ca_system_score_codex":0.00075739436,"about_ca_system_score_gemma":0.0011806176,"threshold_uncertainty_score":0.01223743},"labels":[],"label_agreement":null},{"id":"W2050927471","doi":"10.1007/s10870-007-9186-9","title":"Trans-dibromodioxodimethylformamide molybdenum(VI) MoO2Br2(OCHNMe2)2","year":2007,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Metal complexes synthesis and properties","field":"Medicine","cited_by":4,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Windsor","funders":"","keywords":"Triclinic crystal system; Molybdenum; Chemistry; Organometallic chemistry; Crystal structure; Molybdate; Sodium molybdate; Crystallography; Molecule; Dimethylformamide; Nuclear magnetic resonance spectroscopy; Spectroscopy; Inorganic chemistry; Stereochemistry; Organic chemistry","score_opus":0.024477378390703283,"score_gpt":0.2644995811036772,"score_spread":0.24002220271297392,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2050927471","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.96198994,0.0017896899,0.011949594,0.00027083792,0.00027200763,0.00016715865,0.0009944574,0.00097430043,0.021591984],"genre_scores_gemma":[0.9721921,0.0012116664,0.0050867293,0.0001205,0.000030150639,0.00011354622,0.0008665548,0.00007180933,0.020306965],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99989176,0.000009902325,0.0000057790053,0.000025058367,0.00002748522,0.000040001785],"domain_scores_gemma":[0.9999523,0.000006497322,0.000011444697,0.000009926281,0.0000095934765,0.000010333931],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00015901179,0.0003113232,0.00019942636,0.00014420334,0.00021469504,0.00015449486,0.00046112828,0.00019012124,0.0055708387],"category_scores_gemma":[0.00014694054,0.00012272056,0.000066529865,0.00011361347,0.00012522523,0.00014393464,0.00021755832,0.00030240315,0.0009208487],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00040227053,0.000020999829,0.00015002083,0.00022168661,0.000008854265,0.00006669341,0.000033476186,0.00008512331,0.99396616,0.00034852195,0.0005903587,0.0041058757],"study_design_scores_gemma":[0.0000756244,0.00035949517,0.0010967889,0.000019546187,0.000014417018,0.00017703894,0.00002922406,0.0003554303,0.9786862,0.000042131596,0.019134972,0.000009072361],"about_ca_topic_score_codex":0.002643107,"about_ca_topic_score_gemma":0.004724529,"teacher_disagreement_score":0.0055708387,"about_ca_system_score_codex":0.00027740924,"about_ca_system_score_gemma":0.0002807035,"threshold_uncertainty_score":0.018636286},"labels":[],"label_agreement":null},{"id":"W2053744454","doi":"10.1007/s10870-006-9119-z","title":"X-Ray crystal structure determination of a series of 1-aryl- 2-[3-(3-[2-aryl-1-diazenyl]-1,3-diazepan-1-ylmethyl)-1, 3-diazepan-1-yl]-1-diazenes obtained from the reaction of diazonium salts with mixtures of formaldehyde and 1,4-diaminobutane","year":2006,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Chemical Reactions and Mechanisms","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Saint Mary's University","funders":"","keywords":"Aryl; Chemistry; Moiety; Molecule; Stereochemistry; Crystal structure; Crystallography; Medicinal chemistry; Organic chemistry; Alkyl","score_opus":0.004152944965611683,"score_gpt":0.19405375176724768,"score_spread":0.18990080680163599,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2053744454","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.98250866,0.004642011,0.0026526742,0.00044654746,0.00009646212,0.000056233668,0.0023889292,0.000077928256,0.0071304655],"genre_scores_gemma":[0.97482353,0.0047546495,0.0066645937,0.00017908281,0.000027436958,0.000060974846,0.007602753,0.00003765986,0.005849344],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999347,0.000009597086,0.000004020496,0.000012074027,0.000024751955,0.000014757531],"domain_scores_gemma":[0.99990404,0.000016677799,0.000019651492,0.000006480807,0.000035298784,0.000017894014],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00015795609,0.00021448429,0.0002562389,0.00013526942,0.00024362325,0.00032243496,0.00044595156,0.00024285306,0.0013719975],"category_scores_gemma":[0.00022941636,0.000119851116,0.000116721734,0.00019867234,0.00014597973,0.00020060383,0.00007456049,0.0006900754,0.00025835005],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00036706947,0.00021634906,0.0015850362,0.0002647702,0.000027095124,0.00023117113,0.00009476972,0.0013396926,0.9815625,0.0014675345,0.003119446,0.009724564],"study_design_scores_gemma":[0.00020571963,0.00034269033,0.0122185005,0.000027092921,0.00006207193,0.0005561907,0.00016033139,0.0057891486,0.9532364,0.00023072443,0.027144035,0.00002722408],"about_ca_topic_score_codex":0.0034496612,"about_ca_topic_score_gemma":0.0047229775,"teacher_disagreement_score":0.0034496612,"about_ca_system_score_codex":0.00048552867,"about_ca_system_score_gemma":0.0004527578,"threshold_uncertainty_score":0.0068591237},"labels":[],"label_agreement":null},{"id":"W2054256683","doi":"10.1007/s10870-008-9440-9","title":"Synthesis, Crystal Structures and Thermal Analysis of Two New Silver(I)–Dithioether Lamellar Coordination Polymers","year":2008,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Metal-Organic Frameworks: Synthesis and Applications","field":"Chemistry","cited_by":4,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Université de Montréal","funders":"","keywords":"Thermogravimetric analysis; Monoclinic crystal system; Crystallography; Chemistry; Lamellar structure; Organometallic chemistry; Ligand (biochemistry); Crystal structure; Stereochemistry; Polymer; Cationic polymerization; Single crystal; Coordination polymer; Polymer chemistry; Organic chemistry","score_opus":0.011253590058221618,"score_gpt":0.23741306394662745,"score_spread":0.22615947388840582,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2054256683","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.99694544,0.0003156162,0.0010593922,0.0000513388,0.0000045631964,0.00001143465,0.00015535315,0.000037184403,0.0014197341],"genre_scores_gemma":[0.99523216,0.0002079278,0.0019756972,0.000016543281,0.0000030405804,0.000018283628,0.00022724821,0.00002205,0.0022969902],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99994445,0.0000035909545,0.0000039905635,0.000013215632,0.000017399077,0.000017435288],"domain_scores_gemma":[0.9999095,0.000015243502,0.000033244076,0.000010462698,0.000013521027,0.000018044366],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000062979765,0.00008281552,0.00007951445,0.00013146157,0.00014912174,0.00021702443,0.00018784507,0.00012729054,0.0009198634],"category_scores_gemma":[0.00017609616,0.00013428793,0.000068927,0.0001572099,0.00014984555,0.000120518554,0.00009724533,0.00030204214,0.00013370963],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00009426797,0.000022870794,0.00029209553,0.000043122323,0.0000035059686,0.000049024326,0.000045470126,0.0002983564,0.9960711,0.00025462892,0.00012540871,0.002700121],"study_design_scores_gemma":[0.00001759532,0.000074813805,0.0024785823,0.0000015680876,0.0000066387033,0.00007918441,0.000015976746,0.0010294425,0.9948086,0.00003363662,0.0014484866,0.000005615195],"about_ca_topic_score_codex":0.0012291927,"about_ca_topic_score_gemma":0.0017451122,"teacher_disagreement_score":0.0012291927,"about_ca_system_score_codex":0.0003273639,"about_ca_system_score_gemma":0.0002214525,"threshold_uncertainty_score":0.003077209},"labels":[],"label_agreement":null},{"id":"W2054597052","doi":"10.1007/s10870-008-9340-z","title":"An X-ray Crystallographic Study of the Related Triazenes, 1,4-Di[(E)-2-(2-nitrophenyl)-1-diazenyl]piperazine and Methyl 4-{(E)-2-(4-methylpiperazino)-1-diazenyl}benzoate","year":2008,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Chemical Reactions and Mechanisms","field":"Chemistry","cited_by":13,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Saint Mary's University; Queen's University","funders":"","keywords":"Piperazine; Triclinic crystal system; Triazene; Monoclinic crystal system; Chemistry; Cyclohexane conformation; Ring (chemistry); Crystal structure; Dihedral angle; Crystallography; Stereochemistry; Hydrogen bond; Molecule; Organic chemistry","score_opus":0.011473733945520629,"score_gpt":0.23123609747396512,"score_spread":0.2197623635284445,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2054597052","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9811364,0.006648872,0.0014847905,0.00097095437,0.000055704095,0.000041981024,0.0006856411,0.000041495023,0.008934322],"genre_scores_gemma":[0.9866377,0.004606607,0.0024343142,0.0001920814,0.000027279748,0.000017993863,0.0016387991,0.000018910245,0.004426319],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.999938,0.000011626963,0.0000030155245,0.000008106022,0.000025099782,0.000014083716],"domain_scores_gemma":[0.999936,0.000014778565,0.000014556383,0.0000050681406,0.000017055116,0.000012572332],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00014449762,0.00014879221,0.00023396531,0.00011687275,0.0002807086,0.00023706793,0.0003947259,0.00025337757,0.0018984056],"category_scores_gemma":[0.00018309386,0.0001260081,0.00014419632,0.00023403986,0.00025390813,0.0001877702,0.00008439121,0.0006897223,0.00021495885],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00090358855,0.00022707463,0.0023511695,0.00048632507,0.000036943486,0.00052804564,0.00022210085,0.0021030903,0.97695553,0.0027082772,0.0024302066,0.011047711],"study_design_scores_gemma":[0.000480345,0.0012760108,0.043571804,0.00006138096,0.00013230664,0.0026177834,0.0006907176,0.011460461,0.88641334,0.0007056266,0.05254272,0.00004748104],"about_ca_topic_score_codex":0.0030040243,"about_ca_topic_score_gemma":0.0025803358,"teacher_disagreement_score":0.0030040243,"about_ca_system_score_codex":0.00037712615,"about_ca_system_score_gemma":0.0003136559,"threshold_uncertainty_score":0.0063508153},"labels":[],"label_agreement":null},{"id":"W2060008843","doi":"10.1007/s10870-005-2857-5","title":"Synthesis and structure of a hexaazamacrocyclic copper(II) complex with maleato ligand","year":2005,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Metal-Organic Frameworks: Synthesis and Applications","field":"Chemistry","cited_by":8,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Toronto","funders":"","keywords":"Chemistry; Copper; Ligand (biochemistry); Organometallic chemistry; Crystallography; Crystal structure; Ion; Hydrogen bond; Oxygen atom; Stereochemistry; Molecule; Organic chemistry; Receptor","score_opus":0.009088140435966728,"score_gpt":0.22203769993465675,"score_spread":0.21294955949869002,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2060008843","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.98591125,0.0006658839,0.006613481,0.0002962124,0.00003769044,0.000074914584,0.0007258745,0.0003054101,0.0053692874],"genre_scores_gemma":[0.989204,0.00024102512,0.0058127395,0.000052516378,0.00000621866,0.000028363227,0.0005278292,0.00004482968,0.0040824646],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999163,0.0000075681714,0.000006998086,0.00001983747,0.00002773803,0.000021463702],"domain_scores_gemma":[0.9999411,0.000006450168,0.000011838978,0.000010941697,0.000010452327,0.000019214214],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000083854466,0.00010371181,0.00024969253,0.00014710064,0.00043740653,0.00030332283,0.0006783317,0.00031563125,0.0020744484],"category_scores_gemma":[0.00016089415,0.00016697329,0.00008785022,0.00024703544,0.00013774681,0.00018494339,0.00017380761,0.00035548556,0.00041129114],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.000462368,0.0000868932,0.0004219668,0.0002185351,0.00001553285,0.00030217873,0.00014239363,0.0007477864,0.9870595,0.0025066824,0.0009307081,0.007105482],"study_design_scores_gemma":[0.000064244276,0.00025250998,0.0009465536,0.000006708601,0.000013886129,0.00028956428,0.0000339395,0.0018957531,0.9891076,0.00013905112,0.007234871,0.00001528669],"about_ca_topic_score_codex":0.0021868618,"about_ca_topic_score_gemma":0.0017333191,"teacher_disagreement_score":0.0021868618,"about_ca_system_score_codex":0.000518056,"about_ca_system_score_gemma":0.00044599661,"threshold_uncertainty_score":0.006939709},"labels":[],"label_agreement":null},{"id":"W2061062898","doi":"10.1007/s10870-013-0465-3","title":"Single Crystal Structural Characterization of Tri-, Tetra- and Pentathionates","year":2013,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Wilfrid Laurier University; Memorial University of Newfoundland","funders":"Natural Sciences and Engineering Research Council of Canada; Memorial University of Newfoundland","keywords":"Chemistry; Anhydrous; Potassium; Organometallic chemistry; Hydrate; Tetrathionate; Covalent bond; Crystal structure; Sodium; Supramolecular chemistry; Tetra; Crystallography; Inorganic chemistry; Sulfur; Medicinal chemistry; Organic chemistry","score_opus":0.0065144102660195545,"score_gpt":0.21091236399125818,"score_spread":0.2043979537252386,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2061062898","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9944541,0.0006738409,0.00080712937,0.00011722515,0.000027026117,0.000011754257,0.0012378239,0.00003638978,0.002634699],"genre_scores_gemma":[0.9920774,0.0005842384,0.0013249482,0.00003502743,0.0000078604435,0.000013350666,0.0030133845,0.000021302018,0.0029225112],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9998573,0.000012525115,0.000013078064,0.00003112556,0.000051042043,0.000034903882],"domain_scores_gemma":[0.99983895,0.000030293244,0.000029510056,0.000020171377,0.00005173484,0.000029305384],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00016428348,0.00023527666,0.00033056058,0.00021946486,0.00023519255,0.00041868052,0.0005359018,0.00027209494,0.0031054295],"category_scores_gemma":[0.00036488735,0.00019982761,0.00017432861,0.00040051085,0.0002047631,0.00021887556,0.00015296205,0.0005433591,0.000442609],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0009644507,0.00015334257,0.0025376063,0.00022725109,0.000052810177,0.00055450865,0.00023031367,0.0026418983,0.97965795,0.0009622908,0.001761331,0.010256323],"study_design_scores_gemma":[0.00007982166,0.00034128004,0.0055409484,0.000015023825,0.000026158825,0.00046440732,0.00026545627,0.005185789,0.9807162,0.00015417459,0.0071907723,0.000019870868],"about_ca_topic_score_codex":0.0021658312,"about_ca_topic_score_gemma":0.0016454754,"teacher_disagreement_score":0.0031054295,"about_ca_system_score_codex":0.00038656816,"about_ca_system_score_gemma":0.00030304448,"threshold_uncertainty_score":0.010388732},"labels":[],"label_agreement":null},{"id":"W2064302156","doi":"10.1023/b:jocc.0000021560.97277.84","title":"4-(E)-2-[3-(3-[(E)-2-(4-cyanophenyl)-1-diazenyl]perhydrobenzo[d]imidazol-1-ylmethyl)perhydrobenzo[d]imidazol-1-yl]-1-diazenylbenzonitrile: X-ray crystal structure","year":2004,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":11,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Saint Mary's University","funders":"","keywords":"Chemistry; Crystal structure; Orthorhombic crystal system; Crystallography; Imidazolidine; Hydrogen bond; Derivative (finance); Stacking; Molecule; Stereochemistry; Medicinal chemistry; Organic chemistry","score_opus":0.008777218897034436,"score_gpt":0.21392485020479768,"score_spread":0.20514763130776326,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2064302156","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.8554741,0.014132704,0.036888428,0.0018948294,0.00096188975,0.00044781243,0.004710092,0.0018541892,0.0836359],"genre_scores_gemma":[0.94065744,0.0057809604,0.013434608,0.00040326678,0.00007477092,0.00015114833,0.003888565,0.00010810226,0.03550113],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9998388,0.000022387761,0.000007230253,0.00003105507,0.00004451892,0.000055908724],"domain_scores_gemma":[0.9999262,0.000011292464,0.00001340572,0.000008188838,0.000014917216,0.000026105183],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002740703,0.00031041127,0.00040628947,0.0001920681,0.00022232202,0.00033221196,0.0008976938,0.00037135094,0.0037152926],"category_scores_gemma":[0.0002017934,0.0002271644,0.00011191339,0.0002597636,0.00020634415,0.00030418552,0.00018823842,0.0006469964,0.0019515834],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0006753767,0.00032238476,0.00058869156,0.0003798976,0.00003640777,0.00046537103,0.000056584897,0.0018722537,0.9745364,0.0032953569,0.0035168172,0.014254402],"study_design_scores_gemma":[0.00016319835,0.00029890024,0.002681013,0.000021653666,0.000020760952,0.00040152745,0.00005018928,0.0024744929,0.95572734,0.00029481397,0.03782726,0.000038882223],"about_ca_topic_score_codex":0.0050429134,"about_ca_topic_score_gemma":0.0059470166,"teacher_disagreement_score":0.0050429134,"about_ca_system_score_codex":0.00064850826,"about_ca_system_score_gemma":0.001031142,"threshold_uncertainty_score":0.012428939},"labels":[],"label_agreement":null},{"id":"W2065418356","doi":"10.1007/s10870-005-4552-y","title":"X-ray crystal structures of two polymorphic forms, monoclinic and triclinic, of: 1-[(E)-2-(4-bromophenyl)1-diazenyl]-3-({3-[(E)-2-(4-bromophenyl)-1-diazenyl]-6-ethylhexahydro-1-pyrimidinyl}methyl)-4-ethylhexahydropyrimidine","year":2005,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":4,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Saint Mary's University","funders":"","keywords":"Triclinic crystal system; Monoclinic crystal system; Crystallography; Crystal structure; Methylene; Chemistry; Triazene; Stereochemistry; Moiety; Molecule; Medicinal chemistry; Organic chemistry","score_opus":0.018697106910786302,"score_gpt":0.26467058844740743,"score_spread":0.24597348153662113,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2065418356","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.93717283,0.00856668,0.00834447,0.0026114592,0.00039016994,0.00030182567,0.009355983,0.00039350678,0.03286317],"genre_scores_gemma":[0.9678372,0.0033599846,0.010434245,0.00048019981,0.000063733605,0.00022865189,0.0077719293,0.000089151974,0.009734889],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9997292,0.000035435478,0.000019219651,0.000034919118,0.00014431907,0.000036933186],"domain_scores_gemma":[0.99963915,0.00007772629,0.00010735039,0.000036692196,0.000070406066,0.000068645815],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00029839852,0.00030268528,0.0005074866,0.00022207138,0.00042306806,0.0006238989,0.0012392676,0.0005617188,0.0034831031],"category_scores_gemma":[0.0010079833,0.00031216818,0.00010202571,0.0008327405,0.00051443116,0.0003102453,0.0001830998,0.0012777244,0.0007112036],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0061978465,0.00063756685,0.006390869,0.003014522,0.00015279104,0.0014133914,0.0014916321,0.007457477,0.7795317,0.020005135,0.057949737,0.11575727],"study_design_scores_gemma":[0.006197604,0.0014520627,0.037893005,0.00022626156,0.00022491628,0.0039407634,0.0022247294,0.024992429,0.5605192,0.004697976,0.35740268,0.00022829704],"about_ca_topic_score_codex":0.004350742,"about_ca_topic_score_gemma":0.0031633358,"teacher_disagreement_score":0.004350742,"about_ca_system_score_codex":0.0008170923,"about_ca_system_score_gemma":0.0012794817,"threshold_uncertainty_score":0.011652172},"labels":[],"label_agreement":null},{"id":"W2075467893","doi":"10.1007/s10870-005-9051-7","title":"1-[2-(p-Tolyl)-1-diazenyl]-3-({3-[2-(p-tolyl)-1-diazenyl] perhydrobenzo[d]imidazol-1-yl}methyl)perhydrobenzo[d]imidazole: synthesis,characterization and X-ray crystal structure","year":2006,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Chemical Reactions and Mechanisms","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Saint Mary's University","funders":"","keywords":"Chemistry; Monoclinic crystal system; Crystal structure; Imidazole; Molecule; Stereochemistry; Crystallography; Organometallic chemistry; Toluene; Medicinal chemistry; Organic chemistry","score_opus":0.004065579788978187,"score_gpt":0.19275682174120276,"score_spread":0.1886912419522246,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2075467893","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.8721066,0.012318528,0.05246363,0.0010871354,0.00093405746,0.00045969166,0.0038222976,0.0022679917,0.054540157],"genre_scores_gemma":[0.9598396,0.0030613167,0.011739447,0.00022370418,0.00005706162,0.00013729332,0.0018289582,0.00009165737,0.023021026],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9998734,0.0000147622295,0.000006552824,0.000027342834,0.000027800768,0.000050147966],"domain_scores_gemma":[0.99994266,0.000007718026,0.000011357679,0.0000075615744,0.00001115284,0.000019517049],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00017288464,0.00022990025,0.0004322924,0.00016761791,0.000259519,0.00020770381,0.0008170308,0.0002489549,0.003582947],"category_scores_gemma":[0.000153499,0.00019415873,0.00010165271,0.00020767507,0.00016358991,0.00020350148,0.0001665292,0.00044102393,0.0022749407],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0006107214,0.00014900071,0.00011611228,0.00019909845,0.0000152203365,0.0001556468,0.00003468779,0.0005118777,0.9864873,0.0014203741,0.001550068,0.00874995],"study_design_scores_gemma":[0.00011519429,0.0003751233,0.0011973372,0.000007844432,0.000015464548,0.00029837296,0.000031556374,0.0008915437,0.9769564,0.000113890135,0.019978283,0.000018892599],"about_ca_topic_score_codex":0.0021310546,"about_ca_topic_score_gemma":0.0038690197,"teacher_disagreement_score":0.003582947,"about_ca_system_score_codex":0.0006832116,"about_ca_system_score_gemma":0.00074553536,"threshold_uncertainty_score":0.011986196},"labels":[],"label_agreement":null},{"id":"W2078093524","doi":"10.1007/s10870-010-9857-9","title":"Crystal Structure and Characterization of Iridoid Related Compound Isoeucommiol","year":2010,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Phytochemistry and Biological Activities","field":"Agricultural and Biological Sciences","cited_by":0,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Science North","funders":"","keywords":"Triclinic crystal system; Chemistry; Crystal structure; Crystallography; Hydrogen bond; Crystal (programming language); Stereochemistry; Organometallic chemistry; Single crystal; Molecule; Organic chemistry","score_opus":0.006623690206401737,"score_gpt":0.19050795910281193,"score_spread":0.18388426889641019,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2078093524","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.98623556,0.0024918986,0.0018085949,0.0004364712,0.00006885308,0.000041518633,0.0031176372,0.00011644244,0.005683057],"genre_scores_gemma":[0.97272766,0.0018756627,0.0043126605,0.000115662726,0.000026337646,0.000028816496,0.011344509,0.00004691697,0.009521773],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999305,0.000008941968,0.000005506108,0.000017897968,0.000024706595,0.000012530045],"domain_scores_gemma":[0.9998865,0.000024247583,0.000029772833,0.000011695246,0.000027799222,0.000019991587],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00011857724,0.00017967937,0.0002403395,0.0001828069,0.000178238,0.0004691578,0.0005998934,0.00021426496,0.002357365],"category_scores_gemma":[0.00027377674,0.00011524813,0.00012005082,0.00043451865,0.00014315856,0.00016966116,0.00010464542,0.00054949336,0.0004971699],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0012394098,0.00031079253,0.004976737,0.0002912462,0.000038624257,0.0013482482,0.00017439784,0.0023839711,0.967196,0.002062568,0.0038353263,0.016142607],"study_design_scores_gemma":[0.00033582692,0.0005098742,0.014213361,0.000026213394,0.00007008053,0.0015265733,0.00039114297,0.008756514,0.9228947,0.00039139407,0.050855674,0.000028686181],"about_ca_topic_score_codex":0.003688394,"about_ca_topic_score_gemma":0.0024080318,"teacher_disagreement_score":0.003688394,"about_ca_system_score_codex":0.0006212345,"about_ca_system_score_gemma":0.00046924234,"threshold_uncertainty_score":0.007886171},"labels":[],"label_agreement":null},{"id":"W2078767513","doi":"10.1007/s10870-009-9641-x","title":"Mangifera indica: Crystal Structures of Two Cycloartane Type Triterpenoids Present in the Bark","year":2009,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Mangiferin and Mango Extracts","field":"Medicine","cited_by":2,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Toronto","funders":"Consejo Nacional de Ciencia y Tecnología","keywords":"Monoclinic crystal system; Chemistry; Crystal structure; Crystallography; Molecule; Hydrogen bond; Stereochemistry; Cyclohexane conformation; Ring (chemistry); Organic chemistry","score_opus":0.012754236853768003,"score_gpt":0.29136863634371724,"score_spread":0.27861439948994926,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2078767513","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9896231,0.0029001879,0.00055142277,0.0006531913,0.000086435066,0.000016941563,0.0021284895,0.00012975688,0.0039104545],"genre_scores_gemma":[0.98970264,0.0023855036,0.0018224128,0.000101071164,0.000036915735,0.000018789162,0.0034932126,0.000048303016,0.0023910075],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999399,0.000006932681,0.0000030430213,0.000014148495,0.000021710266,0.000014251009],"domain_scores_gemma":[0.99985075,0.00005759757,0.000030817588,0.00000804632,0.000017754492,0.000034958553],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00010736923,0.00038982357,0.00038070625,0.00018049484,0.000536633,0.00066402793,0.00059965043,0.000340055,0.0052669547],"category_scores_gemma":[0.00028787463,0.00022453963,0.00013512516,0.00041155785,0.00020644156,0.000304586,0.00013113255,0.0010503993,0.00029736845],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0028121187,0.0007585353,0.010179698,0.0022459414,0.00021133373,0.0022026603,0.0014982083,0.015453937,0.9156117,0.005763334,0.017395979,0.025866559],"study_design_scores_gemma":[0.0035868566,0.0024222715,0.13005297,0.00044326013,0.0008637756,0.0036730652,0.005807503,0.19215016,0.55560476,0.0038426565,0.10115614,0.00039667703],"about_ca_topic_score_codex":0.0051162406,"about_ca_topic_score_gemma":0.0074522165,"teacher_disagreement_score":0.0052669547,"about_ca_system_score_codex":0.00046223993,"about_ca_system_score_gemma":0.0004424038,"threshold_uncertainty_score":0.017619729},"labels":[],"label_agreement":null},{"id":"W2081176585","doi":"10.1007/s10870-011-0053-3","title":"An X-Ray Crystallographic Study of Five Compounds from a Series of 1,x-bis-(4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)alkanes","year":2011,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Phenothiazines and Benzothiazines Synthesis and Activities","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Saint Mary's University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Triclinic crystal system; Chemistry; Crystallography; Monoclinic crystal system; Molecule; Intramolecular force; Crystal structure; Hydrogen bond; Moiety; Organometallic chemistry; Stacking; Stereochemistry; Organic chemistry","score_opus":0.015778915807466466,"score_gpt":0.2280380659513382,"score_spread":0.21225915014387173,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2081176585","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.98772824,0.0053019715,0.0009078994,0.00031295297,0.000032946646,0.00005200133,0.0011054948,0.000040098188,0.004518368],"genre_scores_gemma":[0.9861384,0.004737176,0.0023601444,0.00011489039,0.00001647974,0.000030816114,0.0036605566,0.000022177037,0.0029193938],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999157,0.000016347149,0.0000062243416,0.000010868518,0.00003173641,0.000019111896],"domain_scores_gemma":[0.99991906,0.000018113158,0.00001565579,0.0000056609183,0.000026339741,0.000015146731],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00012289938,0.00024473117,0.00026593372,0.00020162763,0.00027764926,0.00019781626,0.0003250312,0.00019665046,0.0014245381],"category_scores_gemma":[0.00019998103,0.000116585135,0.00015711159,0.00037192507,0.00020512773,0.00018165282,0.000097532386,0.00044252505,0.00020091259],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0010494576,0.00023881307,0.0027855595,0.0003830822,0.00006671977,0.00034887635,0.00019230829,0.0024875463,0.9785629,0.0006381127,0.0014387335,0.011807936],"study_design_scores_gemma":[0.00026313978,0.001714332,0.022560058,0.000045609544,0.00017009163,0.0011621802,0.0003708854,0.0034418043,0.9445699,0.00014213086,0.025530614,0.000029233177],"about_ca_topic_score_codex":0.0029937497,"about_ca_topic_score_gemma":0.0033505699,"teacher_disagreement_score":0.0029937497,"about_ca_system_score_codex":0.0003016841,"about_ca_system_score_gemma":0.00033738356,"threshold_uncertainty_score":0.0059526563},"labels":[],"label_agreement":null},{"id":"W2081521592","doi":"10.1007/s10870-010-9740-8","title":"An X-ray Crystallographic Study of 1,4-Di[(E)-2-(p-tolyl)-1-diazenyl]piperazine","year":2010,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Chemical Reactions and Mechanisms","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Saint Mary's University","funders":"","keywords":"Piperazine; Triclinic crystal system; Triazene; Crystal structure; Ring (chemistry); Cyclohexane conformation; Chemistry; Crystallography; Stereochemistry; Molecule; Hydrogen bond; Organic chemistry","score_opus":0.007049769965209558,"score_gpt":0.24748215346595187,"score_spread":0.2404323835007423,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2081521592","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.98518604,0.0042761657,0.0016192402,0.00090441655,0.000059785776,0.000030965442,0.00074459513,0.000052668463,0.0071262536],"genre_scores_gemma":[0.99217016,0.002043826,0.0017778443,0.00013637083,0.0000172078,0.000009537498,0.0009604188,0.000013814138,0.0028709583],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99993944,0.000009320098,0.0000025260863,0.000011653545,0.000019575442,0.000017513174],"domain_scores_gemma":[0.9999479,0.000014134097,0.000010417,0.000004107635,0.0000123696445,0.000011103846],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00010998034,0.00013783957,0.00018510269,0.00009790801,0.00024254785,0.00020752207,0.00046537918,0.00023177126,0.001588793],"category_scores_gemma":[0.00018983631,0.0001200364,0.000082546976,0.00018238834,0.00021929188,0.00017970061,0.00008745112,0.00062082487,0.00016489963],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0010963194,0.00023541738,0.0021382084,0.0005048957,0.000026339645,0.001249312,0.0002905553,0.0035221525,0.97392005,0.0023853302,0.003423523,0.011207926],"study_design_scores_gemma":[0.00033728965,0.0010542357,0.031360634,0.00005723824,0.000087968045,0.0017818415,0.00055902323,0.01820347,0.91244394,0.00046153722,0.03361123,0.00004162412],"about_ca_topic_score_codex":0.0051025315,"about_ca_topic_score_gemma":0.003812105,"teacher_disagreement_score":0.0051025315,"about_ca_system_score_codex":0.00043522732,"about_ca_system_score_gemma":0.00034881153,"threshold_uncertainty_score":0.010145664},"labels":[],"label_agreement":null},{"id":"W2083793052","doi":"10.1007/s10870-013-0395-0","title":"Crystal Structure and DFT Studies of the Hydridophosphorane HP(OC6H4NMe)2","year":2013,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Organophosphorus compounds synthesis","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Simon Fraser University; University of Lethbridge; Trinity Western University; Western University","funders":"","keywords":"Monoclinic crystal system; Crystal structure; Phosphorane; Chemistry; Crystallography; Organometallic chemistry; Density functional theory; Crystal (programming language); Stereochemistry; Computational chemistry","score_opus":0.00765698752527662,"score_gpt":0.21158530762853223,"score_spread":0.2039283201032556,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2083793052","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.97374696,0.0010436814,0.00089035125,0.00059558614,0.00005728971,0.000018922454,0.0016233509,0.00011044418,0.02191343],"genre_scores_gemma":[0.9953263,0.00043539386,0.0011067693,0.00009035742,0.000014927222,0.000030403824,0.0015014735,0.000033238673,0.0014611648],"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999218,0.000011420546,0.0000020169614,0.000009434769,0.000035770903,0.000019584619],"domain_scores_gemma":[0.9999167,0.000038437036,0.00001151063,0.0000067483447,0.000015137337,0.000011436215],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001089178,0.00028963573,0.00043607244,0.00021424534,0.00063295616,0.00051132345,0.0007118294,0.00054109667,0.008592201],"category_scores_gemma":[0.00026054814,0.00018888531,0.00013312379,0.00032577265,0.00035399498,0.00030413797,0.00027707385,0.0006757527,0.00031462146],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.003511884,0.0013426105,0.0174711,0.0044924426,0.00039401348,0.005312969,0.0013096929,0.38942555,0.2286951,0.14519036,0.12998658,0.07286775],"study_design_scores_gemma":[0.0017084667,0.0012868147,0.022552712,0.00024767235,0.000114223934,0.001009063,0.0016135286,0.8786298,0.048858505,0.012363539,0.03148119,0.00013456275],"about_ca_topic_score_codex":0.007995623,"about_ca_topic_score_gemma":0.012826659,"teacher_disagreement_score":0.008592201,"about_ca_system_score_codex":0.0005607741,"about_ca_system_score_gemma":0.0006291373,"threshold_uncertainty_score":0.028743744},"labels":[],"label_agreement":null},{"id":"W2085035666","doi":"10.1007/s10870-009-9645-6","title":"Oxazoles XXI. Three Ester Ammonium Salts Resulting from the Rupture of an Oxazoline Ring","year":2009,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Synthesis and Reactions of Organic Compounds","field":"Chemistry","cited_by":6,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Saskatchewan; McMaster University; Toronto Metropolitan University","funders":"","keywords":"Orthorhombic crystal system; Oxazoline; Crystal structure; Monoclinic crystal system; Chemistry; Oxazole; Molecule; Hydrogenolysis; Crystallography; Salt (chemistry); Stereochemistry; Organometallic chemistry; Ammonium; Medicinal chemistry; Catalysis; Organic chemistry","score_opus":0.01073052845674064,"score_gpt":0.23121903519467119,"score_spread":0.22048850673793055,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2085035666","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9900919,0.00088268134,0.001501362,0.00020045352,0.00009915033,0.000054526212,0.00022908082,0.000087833454,0.006853111],"genre_scores_gemma":[0.9929731,0.0006148929,0.001091446,0.000056925463,0.000015697395,0.00002838806,0.00028768595,0.000019412719,0.00491247],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9997857,0.000024108553,0.000022242439,0.000019154973,0.000050890634,0.00009784984],"domain_scores_gemma":[0.99990284,0.000012626646,0.000035954432,0.00001390434,0.000011640512,0.000022988615],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00018859774,0.00034087038,0.0003959466,0.00014299552,0.00031722832,0.00034843697,0.0007113408,0.0005485728,0.002847695],"category_scores_gemma":[0.00034875618,0.00022755028,0.00022656459,0.00017948485,0.00034958989,0.00036028522,0.0005504595,0.0005293016,0.0006296743],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0017336935,0.00011690647,0.0008984434,0.00036575893,0.000026848284,0.002261854,0.00041635736,0.0009082125,0.97728044,0.0031116188,0.0009984499,0.011881505],"study_design_scores_gemma":[0.00016866362,0.0011341573,0.0018183268,0.000015995462,0.00002134933,0.0007080254,0.00012415796,0.0005798874,0.9884343,0.00027521857,0.006688957,0.000031031177],"about_ca_topic_score_codex":0.0008611645,"about_ca_topic_score_gemma":0.0009074537,"teacher_disagreement_score":0.002847695,"about_ca_system_score_codex":0.000429788,"about_ca_system_score_gemma":0.00037247964,"threshold_uncertainty_score":0.009526491},"labels":[],"label_agreement":null},{"id":"W2090853146","doi":"10.1007/s10870-008-9453-4","title":"An X-Ray Crystallographic Study of the Novel Aminal bis-(p-Ethoxycarbonylphenylamino-)methane","year":2008,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Saint Mary's University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Organometallic chemistry; Crystallography; Aminal; Chemistry; Crystal structure; Methane; X-ray; X-ray crystallography; Stereochemistry; Organic chemistry; Diffraction; Physics","score_opus":0.01547427133528737,"score_gpt":0.23922650783578525,"score_spread":0.2237522365004979,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2090853146","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9935534,0.001482442,0.00078243716,0.00023191661,0.000023350507,0.000009619168,0.0001834942,0.000018071823,0.0037153484],"genre_scores_gemma":[0.99654275,0.0005291659,0.001115939,0.00003235553,0.000006765692,0.0000040730397,0.00031509783,0.000004854665,0.0014490166],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99995494,0.0000052777973,0.0000015295709,0.0000056828885,0.000020378357,0.000012171641],"domain_scores_gemma":[0.99996984,0.0000074917657,0.000008360426,0.0000017753889,0.0000059765803,0.000006641528],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00006763628,0.000107044645,0.00009051831,0.00007276526,0.00020145583,0.000113485265,0.0003342203,0.00016115273,0.0016870614],"category_scores_gemma":[0.000108505104,0.00006620911,0.00006508692,0.00010778632,0.00014880471,0.00012034308,0.00008879233,0.00027708279,0.000105392384],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00055448734,0.000074791285,0.0018791772,0.00021974876,0.000012143743,0.0006751367,0.00013874048,0.001538789,0.9860774,0.0018154959,0.000992744,0.006021395],"study_design_scores_gemma":[0.00010196152,0.0008671863,0.017203677,0.000018784658,0.000033274588,0.001112142,0.00033950715,0.008571541,0.948226,0.00019508837,0.023313498,0.000017425204],"about_ca_topic_score_codex":0.003478682,"about_ca_topic_score_gemma":0.0041323607,"teacher_disagreement_score":0.003478682,"about_ca_system_score_codex":0.0002678153,"about_ca_system_score_gemma":0.00018031953,"threshold_uncertainty_score":0.0069168806},"labels":[],"label_agreement":null},{"id":"W2113380572","doi":"10.1023/a:1020217810779","title":"A new monoclinic crystal phase of [Bu4N][Ni(dmit)2]","year":2002,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Organic and Molecular Conductors Research","field":"Materials Science","cited_by":5,"is_retracted":false,"has_abstract":false,"route_ca_aff":false,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"","funders":"Research Nova Scotia; Universiteit Leiden","keywords":"Monoclinic crystal system; Crystallography; Organometallic chemistry; Crystal structure; Chemistry; Ion; Group (periodic table); Stereochemistry; Organic chemistry","score_opus":0.03830797934574557,"score_gpt":0.30449439498803466,"score_spread":0.26618641564228906,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2113380572","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.86804545,0.0042326623,0.016418856,0.0027653656,0.0017369054,0.00016644763,0.0019206896,0.0010464375,0.103667155],"genre_scores_gemma":[0.9548204,0.00075528247,0.017859293,0.00054686057,0.00012130445,0.00012893719,0.0018278098,0.00009510832,0.023845002],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.999941,0.0000052267237,0.0000040790405,0.000015444191,0.00002443555,0.000009847831],"domain_scores_gemma":[0.99994457,0.0000047305048,0.000012152632,0.0000073803835,0.000017368906,0.000013808177],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00005183399,0.00014174845,0.00021852482,0.00019429391,0.0005961674,0.000533599,0.0005694114,0.00033834195,0.004443152],"category_scores_gemma":[0.00016755238,0.00026751522,0.000045010504,0.00026179838,0.00031112973,0.00041812094,0.00022488117,0.00033278283,0.0005215339],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0007774644,0.00009174203,0.00068503874,0.00077733694,0.00000976661,0.00042976794,0.00023897296,0.0003881251,0.91057456,0.027898243,0.016787365,0.04134161],"study_design_scores_gemma":[0.00055970537,0.0004853395,0.00719735,0.000072189345,0.00002690638,0.0021176965,0.00043112168,0.0055578477,0.60445744,0.010952492,0.36807778,0.00006405626],"about_ca_topic_score_codex":0.0010123464,"about_ca_topic_score_gemma":0.0022883627,"teacher_disagreement_score":0.004443152,"about_ca_system_score_codex":0.0002895043,"about_ca_system_score_gemma":0.00045690895,"threshold_uncertainty_score":0.014863789},"labels":[],"label_agreement":null},{"id":"W2162064609","doi":"10.1007/s10870-006-9114-4","title":"Synthesis and molecular structure of 4,4,5,5-tetramethyl-2-(1-(phenylsulfonyl)propan-2-yl)-1,3,2-dioxaborolane","year":2006,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Organoboron and organosilicon chemistry","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of New Brunswick; Mount Allison University","funders":"Natural Sciences and Engineering Research Council of Canada; Mount Allison University; Canada Research Chairs","keywords":"Monoclinic crystal system; Chemistry; Hydroboration; Intramolecular force; Crystal structure; Sulfone; Organometallic chemistry; Rhodium; Intermolecular force; Crystallography; Lewis acids and bases; Boron; Medicinal chemistry; X-ray crystallography; Stereochemistry; Catalysis; Molecule; Polymer chemistry; Diffraction; Organic chemistry","score_opus":0.002961254016081116,"score_gpt":0.1924493994725382,"score_spread":0.1894881454564571,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2162064609","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.94228727,0.0058450997,0.02121519,0.0011162485,0.00028318624,0.00023743627,0.0025080815,0.00055585266,0.025951575],"genre_scores_gemma":[0.9630811,0.0030034275,0.01660681,0.00014754507,0.000039956052,0.00010345256,0.0019623432,0.00005427595,0.015001064],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99995387,0.0000077719,0.0000032983291,0.000009116954,0.00000987043,0.000016039543],"domain_scores_gemma":[0.99996173,0.000005046023,0.000007584527,0.0000070901765,0.0000064213555,0.000012061097],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00013418899,0.0001586822,0.00021153451,0.00019421703,0.0003287798,0.00026425195,0.00081024255,0.0002226281,0.0030152963],"category_scores_gemma":[0.00012493551,0.000183868,0.00010391523,0.00017947132,0.00015959858,0.00022846268,0.00012703649,0.00052422966,0.000912799],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0003771717,0.00012186443,0.00012093684,0.00022296613,0.000012214804,0.00023222076,0.00009878054,0.0015274857,0.9751844,0.008310598,0.00112796,0.012663499],"study_design_scores_gemma":[0.0001158963,0.00057417905,0.0006954328,0.000013380819,0.000021620677,0.00021007394,0.00003972656,0.001976499,0.95453256,0.0005444574,0.04124985,0.00002625227],"about_ca_topic_score_codex":0.0011996769,"about_ca_topic_score_gemma":0.0016849772,"teacher_disagreement_score":0.0030152963,"about_ca_system_score_codex":0.0005587741,"about_ca_system_score_gemma":0.0005656203,"threshold_uncertainty_score":0.010087192},"labels":[],"label_agreement":null},{"id":"W2318457242","doi":"10.1007/s10870-005-3618-1","title":"[Ag{NCC(O)CN}2]n [SbF6]n, the first metal complex of carbonyl cyanide","year":2005,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Inorganic Fluorides and Related Compounds","field":"Chemistry","cited_by":3,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of New Brunswick","funders":"Alexander von Humboldt-Stiftung","keywords":"Cyanide; Monoclinic crystal system; Chemistry; Organometallic chemistry; Cationic polymerization; Metal carbonyl; Metal; Crystal structure; Crystallography; Medicinal chemistry; Carbonyl group; Stereochemistry; Inorganic chemistry; Polymer chemistry; Organic chemistry","score_opus":0.009027813784891151,"score_gpt":0.20997814014827082,"score_spread":0.20095032636337967,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2318457242","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9789697,0.0017462932,0.0031311866,0.0003450116,0.00024496924,0.000037560443,0.00024465963,0.00023587281,0.01504481],"genre_scores_gemma":[0.9889487,0.00032850305,0.0021766163,0.00008632345,0.000022766691,0.000009764947,0.00022295419,0.000030394476,0.00817406],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9998883,0.000013238554,0.000005237165,0.000019560575,0.000037866834,0.0000357797],"domain_scores_gemma":[0.99995446,0.0000052220403,0.0000064836067,0.000005003735,0.0000131926445,0.00001565687],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000144725,0.00020643586,0.00032794304,0.000115220646,0.0004729536,0.00038202084,0.00047994388,0.0003254585,0.0014927677],"category_scores_gemma":[0.000224139,0.00010826057,0.000070677,0.00012326686,0.00022341615,0.00020604198,0.0003025618,0.00024640618,0.00028395402],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00067952403,0.00003980396,0.0011090804,0.00044922365,0.000026035852,0.0005494696,0.00021812093,0.0008233376,0.9710624,0.007334539,0.0062129074,0.01149558],"study_design_scores_gemma":[0.00007312756,0.00027736308,0.002528653,0.000031126223,0.000026033882,0.00058656704,0.00010061111,0.004473151,0.9540599,0.00055680634,0.03725414,0.00003250935],"about_ca_topic_score_codex":0.01332812,"about_ca_topic_score_gemma":0.018156363,"teacher_disagreement_score":0.01332812,"about_ca_system_score_codex":0.0009101505,"about_ca_system_score_gemma":0.0005284804,"threshold_uncertainty_score":0.02650112},"labels":[],"label_agreement":null},{"id":"W2467403888","doi":"10.1007/s10870-012-0352-3","title":"Three Dimensional Framework Structures of N,N′,N″-Tricyclohexylguanidinium Halides","year":2012,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Ottawa","funders":"","keywords":"Organometallic chemistry; Halide; Chemistry; Crystallography; Crystal structure; Inorganic chemistry","score_opus":0.012757776674161003,"score_gpt":0.2583755006391366,"score_spread":0.2456177239649756,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2467403888","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.98902553,0.00053403876,0.0030929542,0.00015788038,0.000023692008,0.000018335442,0.00035735097,0.00009895527,0.0066913185],"genre_scores_gemma":[0.99328953,0.00052848045,0.0038752868,0.000038954047,0.0000027052545,0.000029441655,0.0003683812,0.000018283321,0.0018489094],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999497,0.0000069339917,0.0000029342175,0.000010122389,0.000012764563,0.000017482866],"domain_scores_gemma":[0.99996746,0.0000061906762,0.0000062884537,0.0000032138807,0.000004767434,0.000012085944],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000047735557,0.00018859144,0.00024952975,0.00015741735,0.00035044592,0.0005327468,0.0004947954,0.00024514477,0.0020438265],"category_scores_gemma":[0.00010273233,0.00013708875,0.00009059707,0.0002188881,0.00019423038,0.00019531773,0.0002456108,0.00042481555,0.00019075551],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0010816382,0.00009572434,0.000928739,0.00033791704,0.0000508361,0.0010666746,0.0004317172,0.04724731,0.8942801,0.038109876,0.0018411073,0.014528338],"study_design_scores_gemma":[0.00094844145,0.0019197598,0.010633989,0.00016294482,0.00012903292,0.0014136871,0.0017629253,0.2826222,0.63096917,0.02047571,0.048693944,0.00026826453],"about_ca_topic_score_codex":0.0038630352,"about_ca_topic_score_gemma":0.006722124,"teacher_disagreement_score":0.0038630352,"about_ca_system_score_codex":0.0008745218,"about_ca_system_score_gemma":0.00055575,"threshold_uncertainty_score":0.0076811314},"labels":[],"label_agreement":null},{"id":"W2896033828","doi":"10.1007/s10870-018-0737-z","title":"The Structure of Cis-2,2′-Azopyridine in the Solid State","year":2018,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Photochromic and Fluorescence Chemistry","field":"Materials Science","cited_by":3,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Western University","funders":"Natural Sciences and Engineering Research Council of Canada; National Natural Science Foundation of China","keywords":"Chemistry; Conformational isomerism; Monoclinic crystal system; Crystallography; Crystal structure; Molecule; Lone pair; Hydrogen bond; Solid-state; Dihedral angle; Organometallic chemistry; Stereochemistry; Physical chemistry; Organic chemistry","score_opus":0.006284564861720059,"score_gpt":0.24435236335161686,"score_spread":0.23806779848989681,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2896033828","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.97521067,0.002003385,0.002823693,0.00051166594,0.00013131529,0.0000268791,0.0016567862,0.00023931597,0.01739627],"genre_scores_gemma":[0.99549735,0.00044219723,0.0013272618,0.0000271295,0.0000066012635,0.0000064900696,0.0003922209,0.000016359942,0.0022844677],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99996364,0.0000046777745,0.0000016454346,0.000009185299,0.000008911234,0.000011928813],"domain_scores_gemma":[0.99997103,0.0000060388074,0.0000057704315,0.0000046043333,0.000003471634,0.00000914502],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00005120264,0.00017397558,0.00022423157,0.00012094821,0.0004078026,0.0005276733,0.00043829367,0.00030934066,0.0033246868],"category_scores_gemma":[0.0000853719,0.00012996215,0.000058567406,0.00017051652,0.00025639532,0.00025482365,0.000100213925,0.00044491334,0.000392945],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00081688835,0.00004988785,0.00032435043,0.00031295736,0.000010121771,0.0007180012,0.0002674526,0.0030365733,0.9528955,0.029251888,0.0020646513,0.010251692],"study_design_scores_gemma":[0.0002029553,0.0010758772,0.0034516687,0.00003160641,0.000036116864,0.00066910294,0.000266168,0.011138371,0.94480354,0.0035652716,0.03468215,0.00007714908],"about_ca_topic_score_codex":0.0045442693,"about_ca_topic_score_gemma":0.0034388553,"teacher_disagreement_score":0.0045442693,"about_ca_system_score_codex":0.00065013336,"about_ca_system_score_gemma":0.00058610615,"threshold_uncertainty_score":0.011122167},"labels":[],"label_agreement":null},{"id":"W299157749","doi":"10.1023/a:1011311918880","title":"Near-perfect dipole parallel-alignment in the highly anisotropic crystal structure of 4-iodoacetophenone-(4-methoxyphenylethylidene) hydrazone","year":2000,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":22,"is_retracted":false,"has_abstract":false,"route_ca_aff":false,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"","funders":"Natural Sciences and Engineering Research Council of Canada; University of Missouri","keywords":"Azine; Crystallography; Chemistry; Intermolecular force; Benzene; Crystal structure; Lattice (music); Aromaticity; Organometallic chemistry; Dipole; Stereochemistry; Molecule; Physics; Organic chemistry","score_opus":0.0064861710232449405,"score_gpt":0.23153322500181492,"score_spread":0.22504705397856997,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W299157749","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.992781,0.0004214181,0.0027066648,0.0005478107,0.0000318541,0.000012427744,0.00012785397,0.000092466056,0.0032785444],"genre_scores_gemma":[0.99510807,0.00030837633,0.003484716,0.000073528405,0.000008230492,0.000017197324,0.00012191305,0.000014108099,0.0008639873],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99987864,0.000025335095,0.0000036663118,0.000018721323,0.00004659566,0.000027001957],"domain_scores_gemma":[0.99986863,0.000045465928,0.00003654572,0.00001045453,0.00001341188,0.000025339867],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00018213756,0.00015664264,0.0003266375,0.00017011799,0.00059011386,0.00065652205,0.0005662838,0.0002913709,0.0010180013],"category_scores_gemma":[0.00024352173,0.00024621948,0.00007825634,0.00029626087,0.00062453246,0.00019935812,0.0002304465,0.00080270256,0.00012850655],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0016812505,0.00030955137,0.004621956,0.00048627352,0.00005739212,0.0029061416,0.0006968217,0.04025148,0.8935287,0.03121112,0.0075875465,0.016661745],"study_design_scores_gemma":[0.0023308604,0.0014697104,0.021757519,0.0000647118,0.000124271,0.0023184344,0.0009317953,0.3488561,0.59578997,0.007280033,0.018889176,0.00018747296],"about_ca_topic_score_codex":0.005512972,"about_ca_topic_score_gemma":0.005937919,"teacher_disagreement_score":0.005512972,"about_ca_system_score_codex":0.0006600416,"about_ca_system_score_gemma":0.0008658115,"threshold_uncertainty_score":0.010961771},"labels":[],"label_agreement":null},{"id":"W3041695156","doi":"10.1007/s10870-020-00846-1","title":"Understanding the Formation of 5-(Diethylammoniothio)-1,3-dimethylbarbituric Acid: Crystal Structure and DFT Studies","year":2020,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Metal complexes synthesis and properties","field":"Medicine","cited_by":0,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Memorial University of Newfoundland","funders":"","keywords":"Chemistry; Solvation; Intramolecular force; Density functional theory; Computational chemistry; Yield (engineering); Physical chemistry; Activation energy; Reaction mechanism; Nuclear magnetic resonance spectroscopy; Solvent; Stereochemistry; Thermodynamics; Organic chemistry; Catalysis","score_opus":0.1273608081586933,"score_gpt":0.2844943921613238,"score_spread":0.15713358400263047,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W3041695156","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.98644036,0.0011966946,0.007730492,0.00037566264,0.000030430821,0.000016297085,0.00023493204,0.00010564364,0.0038694646],"genre_scores_gemma":[0.9946701,0.00049163017,0.0034984427,0.000028330523,0.0000042912347,0.000010467019,0.00023103929,0.000011457421,0.0010541843],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999335,0.000009974697,0.0000027584013,0.000018263321,0.000021219956,0.00001428052],"domain_scores_gemma":[0.9999361,0.000020144,0.000018355215,0.0000064600836,0.000010582192,0.000008341351],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00012802455,0.0002666451,0.00017585202,0.00012916874,0.00033366092,0.00038378793,0.00076720316,0.00045322563,0.0023526307],"category_scores_gemma":[0.00026152795,0.0001654531,0.00013181202,0.00013824024,0.00024265515,0.00030305833,0.00022718868,0.0005753587,0.00032345837],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00069205824,0.0003636886,0.0071592038,0.0009779738,0.00009356887,0.0010204195,0.0004893365,0.056147598,0.8568924,0.04964153,0.0030315407,0.02349073],"study_design_scores_gemma":[0.000101726466,0.0006517986,0.0041868035,0.000042376712,0.00004683031,0.00048454216,0.00037021283,0.24481064,0.7312118,0.004290274,0.013758775,0.000044301232],"about_ca_topic_score_codex":0.0027843334,"about_ca_topic_score_gemma":0.00286491,"teacher_disagreement_score":0.0027843334,"about_ca_system_score_codex":0.00038492985,"about_ca_system_score_gemma":0.0003923007,"threshold_uncertainty_score":0.0078703165},"labels":[],"label_agreement":null},{"id":"W3122884767","doi":"10.1007/s10870-020-00875-w","title":"Synthesis, X-Ray Crystallography, Theoretical Investigation and Optical Properties of 2-Chloro-N-(2,4-dinitrophenyl) Acetamide","year":2021,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Nonlinear Optical Materials Research","field":"Materials Science","cited_by":0,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Toronto","funders":"Kasetsart University Research and Development Institute; Thailand Research Fund","keywords":"Chemistry; Acetamide; Hydrogen bond; Crystallography; Intramolecular force; Monoclinic crystal system; Crystal structure; Molecule; Deprotonation; Intermolecular force; Amide; Solvatochromism; Stereochemistry; Organic chemistry; Ion","score_opus":0.015830594480001348,"score_gpt":0.2368391512589475,"score_spread":0.22100855677894615,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W3122884767","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.97822064,0.002074244,0.0091657685,0.0001641567,0.000037770125,0.000090768925,0.0008401345,0.000091840106,0.009314665],"genre_scores_gemma":[0.98827296,0.001557176,0.006512789,0.00003703055,0.0000076256997,0.000044438355,0.00055243203,0.000023438326,0.0029920053],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99991417,0.000017035189,0.0000075564144,0.000014450974,0.000023922164,0.000022827253],"domain_scores_gemma":[0.999913,0.000018677612,0.000022221628,0.0000130887365,0.000021770884,0.000011287673],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00023996126,0.00018368961,0.00014812505,0.00019647898,0.00023177126,0.00017729895,0.00037060346,0.00013125651,0.0014413423],"category_scores_gemma":[0.00018878072,0.00011459937,0.00010369569,0.0002149939,0.00015086475,0.00012543985,0.0001176206,0.00019852804,0.00038498692],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00027043186,0.000058985588,0.000386293,0.00023811852,0.000005346723,0.0002077287,0.00008341259,0.0014943143,0.9883591,0.0014745357,0.00031139638,0.007110357],"study_design_scores_gemma":[0.000034382978,0.00039138846,0.002040088,0.000014837844,0.000011674046,0.00016164116,0.000031658747,0.002110862,0.985487,0.000102873026,0.009602067,0.000011598098],"about_ca_topic_score_codex":0.0018526467,"about_ca_topic_score_gemma":0.0020406866,"teacher_disagreement_score":0.0018526467,"about_ca_system_score_codex":0.00026558505,"about_ca_system_score_gemma":0.00045429252,"threshold_uncertainty_score":0.0048217177},"labels":[],"label_agreement":null},{"id":"W313524146","doi":"10.1023/a:1009557123632","title":"Chemistry of diaminomaleonitrile: synthesis and structure of two unexpected products from its condensation with 2,5-hexanedione","year":2000,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":11,"is_retracted":false,"has_abstract":false,"route_ca_aff":false,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"","funders":"Ryerson University; U.S. Department of Defense","keywords":"Monoclinic crystal system; Orthorhombic crystal system; Crystallography; Group (periodic table); Chemistry; Crystal structure; Lone pair; Hydrogen bond; Substituent; Organometallic chemistry; Derivative (finance); Stereochemistry; Molecule; Organic chemistry","score_opus":0.005027238176619186,"score_gpt":0.19720734785877522,"score_spread":0.19218010968215604,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W313524146","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.95651656,0.0065323627,0.016653735,0.0007927724,0.00018606873,0.00011874083,0.00064521737,0.00017537513,0.018379267],"genre_scores_gemma":[0.9907901,0.0021761209,0.002951045,0.00005193633,0.000027550579,0.000021352287,0.00025837365,0.000014544493,0.0037089272],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999405,0.000008748671,0.0000032901387,0.000009661636,0.000017731516,0.000019977151],"domain_scores_gemma":[0.9999256,0.000007260213,0.000016575881,0.000008374524,0.000011341509,0.00003089031],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00018836734,0.00046285498,0.00014714428,0.00019501049,0.00024290214,0.00024124108,0.00042673416,0.00029949012,0.001332121],"category_scores_gemma":[0.00011526231,0.00011822273,0.00016557398,0.00012417704,0.00033644275,0.00049702066,0.0002375279,0.00039332503,0.00044456933],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00021261506,0.00009106941,0.00044289586,0.0002082146,0.000012318477,0.0010336142,0.00015445078,0.0008977815,0.9861849,0.0030490253,0.00026493295,0.0074480614],"study_design_scores_gemma":[0.000018822522,0.00025808247,0.0012516616,0.000005860928,0.000006722574,0.0006968988,0.000029590838,0.00066819455,0.99195355,0.00031135025,0.004788562,0.000010777902],"about_ca_topic_score_codex":0.00067908136,"about_ca_topic_score_gemma":0.0012014294,"teacher_disagreement_score":0.001332121,"about_ca_system_score_codex":0.0005326218,"about_ca_system_score_gemma":0.0004305056,"threshold_uncertainty_score":0.0044564605},"labels":[],"label_agreement":null},{"id":"W341233051","doi":"10.1023/a:1024242820066","title":"The crystal and molecular structures of rac-threo-ifenprodil and two other 4-benzylpiperidinyl derivatives","year":2003,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Pharmacological Receptor Mechanisms and Effects","field":"Biochemistry, Genetics and Molecular Biology","cited_by":1,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Victoria","funders":"","keywords":"Chemistry; Monoclinic crystal system; Orthorhombic crystal system; Crystal structure; Crystallography; Organometallic chemistry; Hydrogen bond; Dihedral angle; Stereochemistry; Piperidine; Molecule; van der Waals force; Organic chemistry","score_opus":0.006141092302684209,"score_gpt":0.2514295072580949,"score_spread":0.24528841495541068,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W341233051","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9753759,0.002738585,0.0039468296,0.0020058043,0.00028872344,0.00012141583,0.00522033,0.00036862426,0.00993382],"genre_scores_gemma":[0.95706373,0.0022262447,0.013678078,0.00042483758,0.000072260584,0.00012161834,0.014174427,0.00013319077,0.012105584],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.999795,0.000025685868,0.000020173107,0.000033235734,0.00007831584,0.00004758902],"domain_scores_gemma":[0.9996431,0.00010500092,0.00007958372,0.00003238378,0.000049742215,0.00009025717],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003113158,0.00038007798,0.0007329813,0.0001984391,0.00054817274,0.001078992,0.0012694781,0.0008802745,0.0030152374],"category_scores_gemma":[0.0007446134,0.00036658134,0.00022936845,0.000469944,0.00042412928,0.00057786313,0.00027315647,0.0029130396,0.0006906083],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0065332945,0.0014607058,0.0029781808,0.0009828451,0.00021086284,0.002318642,0.0009604045,0.00927165,0.8991129,0.011959655,0.020268168,0.04394269],"study_design_scores_gemma":[0.0032613173,0.0011339877,0.015245477,0.00010575328,0.0002729321,0.0031943084,0.00087264564,0.039413698,0.81892073,0.0013683025,0.11598723,0.00022365071],"about_ca_topic_score_codex":0.0038104989,"about_ca_topic_score_gemma":0.002943606,"teacher_disagreement_score":0.0038104989,"about_ca_system_score_codex":0.0016289885,"about_ca_system_score_gemma":0.00093910913,"threshold_uncertainty_score":0.011819243},"labels":[],"label_agreement":null},{"id":"W4386418746","doi":"10.1007/s10870-023-00992-2","title":"Crystal Structure of Tetrakis(dimethyl N-cyanodithioiminocarbonate) Bis[(aqua)-µ2-hydroxy-n-butyldichloridotin(IV)]","year":2023,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Organometallic Compounds Synthesis and Characterization","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Université de Montréal","funders":"","keywords":"Triclinic crystal system; Chemistry; Hydrogen bond; Crystal structure; Molecule; Crystallography; Organometallic chemistry; Infrared spectroscopy; Stereochemistry; Medicinal chemistry; Organic chemistry","score_opus":0.009216026411927999,"score_gpt":0.21748375200135495,"score_spread":0.20826772558942694,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W4386418746","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9631478,0.0023460288,0.0038014243,0.0010496754,0.00021430242,0.000084330706,0.005262162,0.00055370264,0.023540698],"genre_scores_gemma":[0.96862555,0.0011732687,0.0075121745,0.00021013031,0.000038460017,0.00006145811,0.00651003,0.000079262994,0.01578966],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999559,0.000002710088,0.00000233597,0.000013549652,0.00001722071,0.0000082718825],"domain_scores_gemma":[0.9999138,0.00001656265,0.000021702992,0.000003864785,0.000017913875,0.000026149013],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00007336376,0.00012760017,0.00020559259,0.00016208059,0.00028142807,0.0004541754,0.0007647237,0.0003498291,0.0043390207],"category_scores_gemma":[0.00016391203,0.0001726137,0.00007754528,0.00022725084,0.00016660336,0.00014542554,0.00006451956,0.00079705036,0.00064735505],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0005813137,0.00019610199,0.001911361,0.00023366194,0.00002917407,0.0003181741,0.000103067825,0.0012416161,0.9754508,0.0032399597,0.006646355,0.010048401],"study_design_scores_gemma":[0.00064773014,0.00051133987,0.0394464,0.000057838908,0.0000955176,0.0013739072,0.0003095935,0.024573192,0.873494,0.00087741,0.058556356,0.000056777837],"about_ca_topic_score_codex":0.012914083,"about_ca_topic_score_gemma":0.009999027,"teacher_disagreement_score":0.012914083,"about_ca_system_score_codex":0.00093607226,"about_ca_system_score_gemma":0.00068604393,"threshold_uncertainty_score":0.02567786},"labels":[],"label_agreement":null},{"id":"W4392545084","doi":"10.1007/s10870-024-01007-4","title":"Type II Halogen-Halogen Contacts in the Single-Crystal X-ray Diffraction Structure of a 1:1 Halogen-Bonded Cocrystal of 2,3,5,6-Tetramethylpyrazine and 1,3,4,5-Tetrabromo-2,6-difluorobenzene","year":2024,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Cocrystal; Halogen; Chemistry; Halogen bond; Crystallography; Organometallic chemistry; Crystal structure; Tetramethylpyrazine; Diffraction; X-ray crystallography; Stereochemistry; Molecule; Organic chemistry; Hydrogen bond; Optics; Physics","score_opus":0.010185690840114139,"score_gpt":0.23974684163357315,"score_spread":0.229561150793459,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W4392545084","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.992512,0.0016740494,0.0018561748,0.00040844595,0.00011696208,0.000015221909,0.00036649642,0.00024611142,0.0028044516],"genre_scores_gemma":[0.99557483,0.00065845175,0.0019741454,0.00018927908,0.000017153814,0.000017826345,0.00082766754,0.00005372044,0.00068684167],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99978834,0.000036068206,0.000009746774,0.00003562961,0.00008132166,0.000048879792],"domain_scores_gemma":[0.999782,0.00007050536,0.000041061183,0.0000143779425,0.000036600002,0.000055397006],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00024433227,0.00028491562,0.00090722245,0.0001797292,0.00068716845,0.0009887085,0.0011036325,0.0005695967,0.0012667134],"category_scores_gemma":[0.0005401246,0.00025324762,0.00019643552,0.00048339658,0.0005343688,0.000483924,0.00024105322,0.0010244494,0.00013491543],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.005341961,0.00093532057,0.030864233,0.0019942406,0.00037649623,0.0077318535,0.0033021392,0.068127185,0.74784136,0.01970042,0.054087542,0.059697255],"study_design_scores_gemma":[0.00251966,0.0016880339,0.118220605,0.00040932142,0.00053633895,0.0031304653,0.0045945225,0.51254,0.31785345,0.0040808762,0.03404191,0.00038475078],"about_ca_topic_score_codex":0.020788977,"about_ca_topic_score_gemma":0.03070549,"teacher_disagreement_score":0.020788977,"about_ca_system_score_codex":0.0015202087,"about_ca_system_score_gemma":0.001260512,"threshold_uncertainty_score":0.04133594},"labels":[],"label_agreement":null},{"id":"W4408734848","doi":"10.1007/s10870-025-01045-6","title":"Crystallographic and Computational Studies of Semisynthesized 4-Allyl-2-Methoxyphenyl-4-Nitrobenzenesulfonate","year":2025,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Synthesis and Characterization of Heterocyclic Compounds","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":false,"route_ca_aff":false,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"","funders":"Agence Universitaire de la Francophonie","keywords":"Organometallic chemistry; Chemistry; Crystallography; Crystal structure","score_opus":0.014107786701771964,"score_gpt":0.27622958505252665,"score_spread":0.26212179835075466,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W4408734848","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9730162,0.0007712949,0.0015751214,0.00071069854,0.000059403883,0.000039961105,0.004616465,0.000312312,0.01889861],"genre_scores_gemma":[0.9897606,0.00040376888,0.003389506,0.00013447102,0.000017584742,0.00005726125,0.004713919,0.000100262565,0.0014225893],"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99978393,0.000030763058,0.0000073392503,0.000026517919,0.00008199383,0.000069444126],"domain_scores_gemma":[0.9994653,0.0002587527,0.000058859834,0.000038117392,0.00013682712,0.00004226093],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00034444738,0.00061060046,0.0010824673,0.0005076494,0.0012808827,0.001104069,0.001424644,0.0012584692,0.0102193225],"category_scores_gemma":[0.00067071384,0.00034831374,0.00054328114,0.0007558096,0.0007845201,0.0005504699,0.00034877064,0.00093298266,0.0006242718],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.001411786,0.0010751599,0.010566349,0.0013278023,0.00019329831,0.0012993385,0.00030124764,0.8975323,0.031611245,0.026727242,0.017836746,0.010117498],"study_design_scores_gemma":[0.00050234667,0.0003723811,0.0035403522,0.00003826971,0.00006333911,0.00008181742,0.0003603623,0.9819394,0.008282004,0.0018804758,0.002901259,0.000038082213],"about_ca_topic_score_codex":0.038862802,"about_ca_topic_score_gemma":0.05396045,"teacher_disagreement_score":0.038862802,"about_ca_system_score_codex":0.0022523508,"about_ca_system_score_gemma":0.0029338202,"threshold_uncertainty_score":0.07727319},"labels":[],"label_agreement":null},{"id":"W47859885","doi":"10.1023/a:1026111508373","title":"Crystal structures of the benzene and ethanol solvates of neotame","year":2003,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Nutrasource","funders":"","keywords":"Chemistry; Monoclinic crystal system; Benzene; Orthorhombic crystal system; Molecule; Crystallography; Hydrogen bond; Intermolecular force; Crystal structure; Stereochemistry; Organic chemistry","score_opus":0.007657105089454253,"score_gpt":0.24067884244910848,"score_spread":0.23302173735965423,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W47859885","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.99509156,0.0007918971,0.00054482295,0.00020651222,0.000010496721,0.000006196787,0.0006053912,0.000045019584,0.0026981873],"genre_scores_gemma":[0.9920317,0.00090468774,0.0014717261,0.000090670896,0.00000389569,0.000015572166,0.0014432659,0.000023443032,0.004015056],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999528,0.000008314818,0.000002695876,0.000006476205,0.000017196122,0.000012481533],"domain_scores_gemma":[0.9999236,0.000029019946,0.00001766844,0.0000040790314,0.000010472718,0.000015209564],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008435492,0.00014236967,0.0002849425,0.00010596648,0.00029798545,0.0002874868,0.0003736166,0.00020226458,0.003175904],"category_scores_gemma":[0.00022043772,0.000122062454,0.000066392335,0.00023118133,0.0001679369,0.00018710055,0.00018410977,0.0004989959,0.00025603842],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.002524396,0.00056116947,0.011200438,0.001234574,0.00011628533,0.0018638622,0.0015564251,0.015940484,0.90008193,0.01599458,0.013130742,0.035795093],"study_design_scores_gemma":[0.00075371505,0.0007802722,0.030381996,0.00012697061,0.0001087734,0.0015905716,0.002560743,0.07863065,0.82022744,0.002611402,0.06209883,0.00012867157],"about_ca_topic_score_codex":0.0025906614,"about_ca_topic_score_gemma":0.0046884795,"teacher_disagreement_score":0.003175904,"about_ca_system_score_codex":0.0004899472,"about_ca_system_score_gemma":0.00029026542,"threshold_uncertainty_score":0.010624468},"labels":[],"label_agreement":null}]}