{"meta":{"query_hash":"6e579aa9c6da","filters":{"venue":"Analytical Sciences X-ray Structure Analysis Online"},"cohort_total":5,"direct_labels_cover":0,"predictions_cover":5,"exported":5,"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/6e579aa9c6da","api":"https://metacan.xera.ac/api/v1/cohort?venue=Analytical+Sciences+X-ray+Structure+Analysis+Online"},"results":[{"id":"W1669054276","doi":"10.2116/analscix.24.x155","title":"Crystal Structure of Bis(N-ethyl-N-phenyldithiocarbamato-.KAPPA.2S,S')-(2-ethyl-2-oxazoline-.KAPPA.1N)zinc(II)","year":2008,"lang":"en","type":"article","venue":"Analytical Sciences X-ray Structure Analysis Online","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Acadia University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Kappa; Oxazoline; Zinc; Chemistry; Mathematics; Organic chemistry; Geometry","score_opus":0.01585553970230267,"score_gpt":0.27431195540816455,"score_spread":0.25845641570586186,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W1669054276","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.99309486,0.00072453625,0.00047611,0.00088031316,0.00019814972,0.00018586076,0.0018559941,0.0002490284,0.0023351526],"genre_scores_gemma":[0.9905997,0.000094530726,0.005939185,0.0005231026,0.0009784038,0.0000036640915,0.0011534016,0.000080173,0.00062783825],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9900119,0.00013178724,0.002318896,0.0023356944,0.0034491227,0.0017526132],"domain_scores_gemma":[0.99459016,0.00065165275,0.0011060808,0.0018911114,0.0007488074,0.0010121948],"candidate_categories":["metaepi_narrow","sts","insufficient_payload"],"consensus_categories":["metaepi_narrow"],"category_scores_codex":[0.00035675275,0.0013363395,0.0026408143,0.0010281997,0.001198664,0.0001899771,0.0032311569,0.0010218528,0.0071074446],"category_scores_gemma":[0.0008720821,0.001047486,0.0017332048,0.007242801,0.0037642939,0.0005488519,0.001031269,0.0017214469,0.000003049902],"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":[0.00021659986,0.0003199647,0.025626263,0.00018965213,0.0028811921,0.00011890761,0.00039789695,0.01268409,0.95459056,0.0010417387,0.0013281463,0.0006050189],"study_design_scores_gemma":[0.011700448,0.0021389532,0.09318005,0.00060605723,0.02818915,0.0013838437,0.0037558444,0.25206503,0.4153425,0.052683756,0.12395458,0.014999775],"about_ca_topic_score_codex":0.00061695033,"about_ca_topic_score_gemma":0.0010793757,"teacher_disagreement_score":0.53924805,"about_ca_system_score_codex":0.00027028646,"about_ca_system_score_gemma":0.0005675731,"threshold_uncertainty_score":0.9999388},"labels":[],"label_agreement":null},{"id":"W1970801144","doi":"10.2116/analscix.24.x223","title":"Synthesis and Molecular Structure of trans-Dichlorodi((4-fluorophenyl)-methanamine)palladium(II)","year":2008,"lang":"en","type":"article","venue":"Analytical Sciences X-ray Structure Analysis Online","topic":"Magnetism in coordination complexes","field":"Materials Science","cited_by":1,"is_retracted":false,"has_abstract":true,"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":"Atlantic Canada Opportunities Agency","keywords":"Palladium; Monoclinic crystal system; Benzylamine; Derivative (finance); Chemistry; Crystallography; Medicinal chemistry; Crystal structure; Catalysis; Organic chemistry","score_opus":0.017098478213531373,"score_gpt":0.2711623337700806,"score_spread":0.2540638555565492,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W1970801144","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.99138856,0.00054829835,0.0052563148,0.0016376931,0.00010615834,0.00016413875,0.00055309595,0.00006215184,0.00028356363],"genre_scores_gemma":[0.97305375,0.00006731666,0.02628324,0.00030278869,0.00010449062,0.0000024433584,0.000045429682,0.00001706348,0.00012348115],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9956321,0.00025873858,0.0009072063,0.0011208623,0.0014463364,0.0006347178],"domain_scores_gemma":[0.9978309,0.00048474906,0.00036086809,0.0006552819,0.0003355986,0.0003325532],"candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0004533369,0.0004434107,0.0011215826,0.0008034508,0.00062489783,0.00009236338,0.0010735077,0.00020883312,0.0061507756],"category_scores_gemma":[0.0006491025,0.0003379369,0.0003553897,0.0040929946,0.002285685,0.0003422447,0.00022482907,0.00023696198,0.000002948645],"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":[0.000042946314,0.00015708544,0.011938924,0.0000572652,0.000531334,0.000047035497,0.00039270145,0.012597781,0.9671295,0.0043379185,0.00017565538,0.002591807],"study_design_scores_gemma":[0.0012610328,0.0011772508,0.19399546,0.000084103594,0.008278778,0.00011909306,0.00063058053,0.2209413,0.55492556,0.013934644,0.0022529042,0.0023992863],"about_ca_topic_score_codex":0.00044941006,"about_ca_topic_score_gemma":0.00066460186,"teacher_disagreement_score":0.41220397,"about_ca_system_score_codex":0.000042370284,"about_ca_system_score_gemma":0.00014759805,"threshold_uncertainty_score":0.99990726},"labels":[],"label_agreement":null},{"id":"W2037213483","doi":"10.2116/analscix.22.x195","title":"Crystal Structure of 2,7-Di-tert-butyl-10,11-diethoxycarbonyl-trans-9,12-epoxy-12b,12c-dimethyldihydrobenzo[e]pyrene","year":2006,"lang":"en","type":"article","venue":"Analytical Sciences X-ray Structure Analysis Online","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Victoria","funders":"","keywords":"Monoclinic crystal system; Pyrene; Crystallography; Crystal structure; Epoxy; Chemistry; Crystal (programming language); Alternation (linguistics); Molecule; Stereochemistry; Organic chemistry","score_opus":0.010018125650699693,"score_gpt":0.2657330094846007,"score_spread":0.255714883833901,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2037213483","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9920777,0.0007236196,0.0008803781,0.000629893,0.0001363077,0.00016034696,0.0017905821,0.00021218823,0.003388983],"genre_scores_gemma":[0.9912053,0.000014433262,0.00525816,0.00016709212,0.00092915556,0.0000029840546,0.001541193,0.000071549606,0.00081016205],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9909364,0.00016053786,0.002255921,0.002148321,0.0028726873,0.001626116],"domain_scores_gemma":[0.99561507,0.00070501695,0.0009477285,0.0015993993,0.000494976,0.0006377941],"candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.00041514574,0.0012164116,0.0023763767,0.00088941626,0.0004444921,0.00033786646,0.0026407784,0.00093391835,0.010782611],"category_scores_gemma":[0.00039737247,0.0009702255,0.0017589419,0.0050723087,0.0022170634,0.00045898883,0.00046536062,0.0009972063,0.0000014137707],"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":[0.00012432392,0.0002572649,0.037612632,0.00016126268,0.0013624018,0.000029882398,0.000053884625,0.027321372,0.9313767,0.00071056985,0.0005764353,0.00041325684],"study_design_scores_gemma":[0.006813545,0.0008683256,0.09517645,0.0003519666,0.021641115,0.00014482034,0.0007169377,0.29035294,0.4609506,0.08284174,0.031916324,0.008225227],"about_ca_topic_score_codex":0.0018083223,"about_ca_topic_score_gemma":0.0071877646,"teacher_disagreement_score":0.4704261,"about_ca_system_score_codex":0.000237701,"about_ca_system_score_gemma":0.00023343184,"threshold_uncertainty_score":0.99927485},"labels":[],"label_agreement":null},{"id":"W2049115056","doi":"10.2116/analscix.20.x167","title":"Crystal Structure of {Acetic acid 4-[7-(4-acetoxy-3-methoxyphenyl)-3,5-dioxoheptyl]-2-methoxy ester-03.05}-boron difluoride: A Boron Complex of Acetylated Tetrahydrocurcumin Derivative","year":2004,"lang":"en","type":"article","venue":"Analytical Sciences X-ray Structure Analysis Online","topic":"Organoboron and organosilicon chemistry","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Toronto","funders":"Dirección General de Asuntos del Personal Académico, Universidad Nacional Autónoma de México","keywords":"Monoclinic crystal system; van der Waals force; Boron; Difluoride; Intermolecular force; Molecule; Derivative (finance); Crystal (programming language); Chemistry; Crystallography; Solvent; Acetic acid; Crystal structure; Medicinal chemistry; Organic chemistry","score_opus":0.017690149006533314,"score_gpt":0.29644394202633034,"score_spread":0.278753793019797,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2049115056","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9946026,0.00046435173,0.0017354127,0.00074924354,0.00008728461,0.00017922414,0.0016849367,0.00011783704,0.00037909776],"genre_scores_gemma":[0.982787,0.000052062973,0.015851693,0.0001802596,0.0002464809,0.0000023527273,0.00071978493,0.000061670005,0.000098653516],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.993075,0.00015865962,0.0020025827,0.00169142,0.0019144788,0.001157851],"domain_scores_gemma":[0.99589187,0.00038869973,0.0012054422,0.0013467498,0.0005604411,0.0006067749],"candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0003956139,0.0010065236,0.002336714,0.00062443706,0.0003330359,0.00012533592,0.0018637946,0.0007772243,0.0074227746],"category_scores_gemma":[0.0008198716,0.00081953284,0.0010136554,0.0057805507,0.0024294176,0.0004200356,0.0004069737,0.0009785156,0.0000040116047],"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":[0.000076612625,0.0003491485,0.011470794,0.00025159025,0.0018246553,0.000022045435,0.0005947065,0.0075382646,0.9768102,0.00025982445,0.00004037498,0.0007617733],"study_design_scores_gemma":[0.0017327783,0.0002525069,0.016975556,0.000107289125,0.0030525525,0.000031673488,0.0019006241,0.008554634,0.9653388,0.0010436093,0.000104232204,0.000905747],"about_ca_topic_score_codex":0.00047829322,"about_ca_topic_score_gemma":0.00080512674,"teacher_disagreement_score":0.014116281,"about_ca_system_score_codex":0.00031905118,"about_ca_system_score_gemma":0.000517632,"threshold_uncertainty_score":0.99942553},"labels":[],"label_agreement":null},{"id":"W2085483571","doi":"10.2116/analscix.20.x91","title":"Crystal Structure of the Curcumin Derivative, Acetic Acid 4-[7-(4-Acetoxy-3-methoxyphenyl)-3,5-dioxoheptyl]-2-methoxyphenyl ester","year":2004,"lang":"en","type":"article","venue":"Analytical Sciences X-ray Structure Analysis Online","topic":"Synthesis of Organic Compounds","field":"Medicine","cited_by":0,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Toronto","funders":"Dirección General de Asuntos del Personal Académico, Universidad Nacional Autónoma de México","keywords":"Monoclinic crystal system; Intramolecular force; Hydrogen bond; van der Waals force; Crystal (programming language); Molecule; Chemistry; Crystal structure; Derivative (finance); Acetic acid; Crystallography; Stereochemistry; Organic chemistry","score_opus":0.0197417058691964,"score_gpt":0.3090861687221175,"score_spread":0.28934446285292115,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2085483571","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9816766,0.00043625527,0.007985783,0.008486273,0.00021719588,0.00045252824,0.0002905328,0.00008026199,0.00037457625],"genre_scores_gemma":[0.95425653,0.000016758864,0.043974902,0.0010792649,0.00035222506,0.0000023682064,0.000079023885,0.00004370016,0.00019521786],"study_design_codex":"bench_or_experimental","study_design_gemma":"observational","domain_scores_codex":[0.9937457,0.0003394018,0.0013235408,0.0013550522,0.0022680205,0.00096828426],"domain_scores_gemma":[0.9962848,0.00044427317,0.0006475014,0.0016446874,0.0004928999,0.00048583167],"candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.00057364797,0.0007261749,0.0018372838,0.00084398955,0.00046971565,0.00013954977,0.001631431,0.00040679544,0.0023477105],"category_scores_gemma":[0.0018376986,0.00043713453,0.0012652257,0.008744067,0.0024144342,0.00034317182,0.0004878597,0.0008988781,0.000007585743],"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":[0.00019976082,0.0006326988,0.114848025,0.00012288538,0.0056194807,0.000040104223,0.0011196324,0.008643133,0.862418,0.0025864108,0.00018984555,0.0035800396],"study_design_scores_gemma":[0.0037902857,0.0010091378,0.7527598,0.00031484326,0.019681342,0.00030047086,0.0024901354,0.014632229,0.18739533,0.01378686,0.002175367,0.0016641958],"about_ca_topic_score_codex":0.00018729242,"about_ca_topic_score_gemma":0.00063619803,"teacher_disagreement_score":0.67502266,"about_ca_system_score_codex":0.00028992168,"about_ca_system_score_gemma":0.00071623054,"threshold_uncertainty_score":0.9998081},"labels":[],"label_agreement":null}]}