{"meta":{"query_hash":"972172c7ee61","filters":{"venue":"Medicinal Chemistry"},"cohort_total":33,"direct_labels_cover":0,"predictions_cover":33,"exported":33,"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/972172c7ee61","api":"https://metacan.xera.ac/api/v1/cohort?venue=Medicinal+Chemistry"},"results":[{"id":"W1967291354","doi":"10.2174/15734064113099990031","title":"Synthesis and Biological Activities of 2,6-Dihydroxy-4-Isopentenyloxychalcone as an Antimicrobial and Anti-Inflammatory Compound","year":2014,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Synthesis of Organic Compounds","field":"Medicine","cited_by":4,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Université Laval","funders":"","keywords":"Antimicrobial; Anti-inflammatory; Microbiology; Chemistry; Combinatorial chemistry; Traditional medicine; Pharmacology; Biology; Medicine","score_opus":0.014222182950994203,"score_gpt":0.2471437279702287,"score_spread":0.2329215450192345,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W1967291354","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":[0.9816413,0.007926196,0.0045579104,0.00017024098,0.000054874985,0.00016004515,0.00077001995,0.00005994737,0.004659399],"genre_scores_gemma":[0.9897724,0.0031430053,0.0042534526,0.00006266524,0.000019564706,0.000037156868,0.0004705347,0.000008087817,0.0022332477],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99995077,0.000011461948,0.000005072596,0.000008195664,0.000010321298,0.000014047329],"domain_scores_gemma":[0.99994516,0.000007061367,0.000010262624,0.0000068959885,0.000010402667,0.000020293814],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009028634,0.0003150555,0.00019467276,0.00036796663,0.00013965604,0.0001287186,0.00018468277,0.00024197478,0.0013160275],"category_scores_gemma":[0.00008079664,0.000060024748,0.00016633495,0.00027165635,0.000117210926,0.00019507541,0.00013878956,0.0001968448,0.00030349116],"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":[0.00016966485,0.00010701251,0.00020363239,0.00023889916,0.000009095186,0.00033808756,0.00003220878,0.00046886507,0.98775977,0.0002918527,0.0000910736,0.01028987],"study_design_scores_gemma":[0.000057063593,0.001361505,0.0032519053,0.000021873471,0.000028380437,0.00042652726,0.00003281994,0.0004392499,0.9882442,0.0001381771,0.0059832833,0.000015018327],"about_ca_topic_score_codex":0.0004083513,"about_ca_topic_score_gemma":0.0007427998,"teacher_disagreement_score":0.0013160275,"about_ca_system_score_codex":0.0001553502,"about_ca_system_score_gemma":0.00033231522,"threshold_uncertainty_score":0.004402578},"labels":[],"label_agreement":null},{"id":"W1989903543","doi":"10.2174/157340608786242089","title":"Hemoglobin Enhances the Biological Activity of Synthetic and Natural Bacterial (Endotoxic) Virulence Factors: A General Principle","year":2008,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Reproductive tract infections research","field":"Immunology and Microbiology","cited_by":13,"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 Health Network","funders":"","keywords":"Lipid A; Virulence; Biological activity; Virulence factor; Lipopolysaccharide; Hemoglobin; Lipopeptide; Cytokine; Microbiology; Biology; Tumor necrosis factor alpha; Chemistry; Biochemistry; Bacteria; Immunology; In vitro; Gene","score_opus":0.026664433157697256,"score_gpt":0.28758418704418826,"score_spread":0.260919753886491,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W1989903543","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":[0.991867,0.0043837465,0.002638764,0.000075946584,0.000017928958,0.00002998798,0.00007159986,0.000022041599,0.00089297903],"genre_scores_gemma":[0.99662316,0.0010847161,0.001536191,0.000065051194,0.000026478618,0.000017921693,0.000094503535,0.0000054221136,0.0005464784],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99981564,0.000079286605,0.000009487947,0.000019248519,0.000041295756,0.000035055076],"domain_scores_gemma":[0.99978465,0.000087938,0.000043629057,0.000018517449,0.000029030776,0.00003622126],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00023427673,0.00031384735,0.00016900724,0.00014146153,0.00004348103,0.00017833046,0.000104828585,0.0002743291,0.0007194627],"category_scores_gemma":[0.00018744411,0.0000619579,0.00015002525,0.000085789005,0.00018999456,0.00013657287,0.00017679116,0.00024076864,0.00009624695],"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":[0.00019829783,0.000036889513,0.00028502895,0.00006773099,0.0000066603343,0.0000441995,0.000014017685,0.000042777283,0.99734783,0.000052809697,0.000011954077,0.0018917436],"study_design_scores_gemma":[0.000023599327,0.0019099021,0.008803624,0.000010740351,0.000028887598,0.00023386386,0.00002291478,0.00038939784,0.9870336,0.000055412296,0.0014835706,0.0000043897],"about_ca_topic_score_codex":0.000105483276,"about_ca_topic_score_gemma":0.000072654315,"teacher_disagreement_score":0.0007194627,"about_ca_system_score_codex":0.00007215891,"about_ca_system_score_gemma":0.00008321489,"threshold_uncertainty_score":0.0024068356},"labels":[],"label_agreement":null},{"id":"W2015700611","doi":"10.2174/157340607781745438","title":"Structure Function Analysis of West Nile Virus RNA Dependent RNA Polymerase: Molecular Model and Implications for Drug Design","year":2007,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Mosquito-borne diseases and control","field":"Medicine","cited_by":3,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":true,"ca_institutions":"Wilfrid Laurier University; Université Laval","funders":"","keywords":"RNA polymerase; RNA-dependent RNA polymerase; Polymerase; Biology; RNA; Virology; Homology modeling; Enzyme; Genetics; Biochemistry; Gene","score_opus":0.00963457973524368,"score_gpt":0.2720095002622122,"score_spread":0.26237492052696854,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2015700611","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":[0.7202826,0.0076642344,0.24188358,0.0024904788,0.00015804055,0.00013286258,0.0011261827,0.0009443447,0.025317641],"genre_scores_gemma":[0.9514631,0.0038917025,0.040069483,0.000098628334,0.00003069341,0.00015287675,0.0009807218,0.000052392556,0.0032602125],"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","domain_scores_codex":[0.99997413,0.000006383311,0.0000013244003,0.0000061855008,0.000007442874,0.000004557563],"domain_scores_gemma":[0.9999788,0.0000069808652,0.0000042531055,0.0000018352488,0.0000043536247,0.0000036512065],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00007255953,0.000500041,0.0005863922,0.0002128358,0.00031015035,0.00044342873,0.000539876,0.00058403926,0.0024553465],"category_scores_gemma":[0.0001238052,0.00016336607,0.0003922489,0.00021310689,0.00023559273,0.00043307053,0.0001152823,0.0003606205,0.000566819],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0004050507,0.00018333539,0.0012705105,0.00037609425,0.000056337576,0.00050693593,0.00009708173,0.7681849,0.13571024,0.06927528,0.0016448944,0.022289373],"study_design_scores_gemma":[0.00004854241,0.00015733321,0.0002719483,0.000010324704,0.000016213076,0.00007879617,0.000024573084,0.97831684,0.007832241,0.010788473,0.0024441385,0.00001051279],"about_ca_topic_score_codex":0.0016304416,"about_ca_topic_score_gemma":0.00079298776,"teacher_disagreement_score":0.0024553465,"about_ca_system_score_codex":0.0005503136,"about_ca_system_score_gemma":0.00045483114,"threshold_uncertainty_score":0.008213997},"labels":[],"label_agreement":null},{"id":"W2016806277","doi":"10.2174/157340607782360335","title":"Design and Synthesis of New N-OMe Fluoro-Indole Melatoninergics","year":2007,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Fluorine in Organic Chemistry","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":4,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Women's Health Research Institute","funders":"National and Kapodistrian University of Athens; Wellcome Trust","keywords":"Xenopus; Indole test; Stereochemistry; Agonist; Melanophore; Agonistic behaviour; Partial agonist; Antagonist; Chemistry; Potency; Pharmacology; Biology; Receptor; In vitro; Biochemistry; Medicine; Gene; Genetics","score_opus":0.06996949263559149,"score_gpt":0.3894309356773196,"score_spread":0.31946144304172813,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2016806277","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":[0.9571739,0.007394099,0.020929888,0.00018433068,0.00014798806,0.00042156532,0.00073069375,0.0002126714,0.012804821],"genre_scores_gemma":[0.975199,0.0037370662,0.014109023,0.00016148953,0.00004013981,0.00014633632,0.0004893825,0.000019805222,0.0060978504],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999434,0.000008574997,0.0000061217734,0.000011523174,0.00001240432,0.000017993254],"domain_scores_gemma":[0.9999459,0.000006144741,0.000016328086,0.000003874715,0.000008411682,0.000019363011],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00015338445,0.00024125418,0.00025913108,0.00017011928,0.00012560049,0.00016589319,0.00035704637,0.00022012771,0.0015976416],"category_scores_gemma":[0.00012672205,0.00013106829,0.00020905724,0.000106375504,0.00012579287,0.00016755158,0.00014131659,0.00033023552,0.00042817398],"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":[0.00021278701,0.00012956723,0.00016393022,0.00024798562,0.000017001423,0.00027982515,0.000057730984,0.001045408,0.98427725,0.0008169354,0.00018440909,0.012567084],"study_design_scores_gemma":[0.00024438283,0.00406873,0.0031108304,0.00004725777,0.000069266294,0.0007050566,0.00005609078,0.0019511557,0.9585032,0.00022238115,0.03098216,0.000039539984],"about_ca_topic_score_codex":0.00034871412,"about_ca_topic_score_gemma":0.00092588493,"teacher_disagreement_score":0.0015976416,"about_ca_system_score_codex":0.0002187825,"about_ca_system_score_gemma":0.00014487606,"threshold_uncertainty_score":0.0053446293},"labels":[],"label_agreement":null},{"id":"W2041258384","doi":"10.2174/157340609787582945","title":"Synthesis and Hypoxia Selective Radiosensitization Potential of β-2-FAZA and β-3-FAZL: Fluorinated Azomycin β-Nucleosides","year":2009,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Cancer, Hypoxia, and Metabolism","field":"Biochemistry, Genetics and Molecular Biology","cited_by":14,"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 Alberta","funders":"Mazandaran University of Medical Sciences; Canadian Institutes of Health Research; Ministry of Health and Medical Education","keywords":"Nitroimidazole; Nucleoside; Chemistry; Hypoxia (environmental); Stereochemistry; Combinatorial chemistry; Radiochemistry; Organic chemistry; Oxygen","score_opus":0.00723283570263339,"score_gpt":0.23241979374809374,"score_spread":0.22518695804546035,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2041258384","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":[0.9804283,0.003681423,0.011784704,0.00007722154,0.000021464684,0.00011757756,0.0007213081,0.000102385085,0.0030656399],"genre_scores_gemma":[0.9758195,0.0024689585,0.017959546,0.000043458513,0.000011888399,0.00009817785,0.00092263514,0.00004055255,0.0026352676],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999337,0.000014845699,0.000006170569,0.000017014658,0.000015511832,0.000012701857],"domain_scores_gemma":[0.9999124,0.00001981527,0.000024454735,0.00000937778,0.00001613201,0.000017930617],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00012231132,0.00033974703,0.00021588107,0.00015225397,0.00013077978,0.000184706,0.00020941116,0.00036245718,0.0007071199],"category_scores_gemma":[0.00021666488,0.000114370225,0.00016308141,0.00017959287,0.00013973504,0.00022465999,0.0001186382,0.00032107267,0.0003908277],"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":[0.000051295407,0.000008691271,0.000027727348,0.00004022515,0.0000027717579,0.00004437681,0.000018145736,0.00019881707,0.997658,0.0001001191,0.000017660766,0.0018321906],"study_design_scores_gemma":[0.000006428719,0.00013387599,0.0002482213,0.000002247989,0.000005067671,0.00006408614,0.0000036614476,0.00022220261,0.9973672,0.000012057172,0.0019310436,0.000003916015],"about_ca_topic_score_codex":0.0005217454,"about_ca_topic_score_gemma":0.00073501264,"teacher_disagreement_score":0.0007071199,"about_ca_system_score_codex":0.00020655064,"about_ca_system_score_gemma":0.00019448073,"threshold_uncertainty_score":0.0023655295},"labels":[],"label_agreement":null},{"id":"W2046205615","doi":"10.2174/157340608784872235","title":"Truncation of the Krebs Cycle During Hypoglycemic Coma","year":2008,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Neurological Disorders and Treatments","field":"Neuroscience","cited_by":40,"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 Calgary","funders":"","keywords":"Citric acid cycle; Tricarboxylic acid; Aminooxyacetic acid; Glutamate receptor; Biochemistry; Glutamine; Ketone bodies; Metabolism; Metabolic pathway; Biology; Chemistry; Amino acid","score_opus":0.020585733197593818,"score_gpt":0.22595231384900225,"score_spread":0.20536658065140842,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2046205615","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":[0.98932487,0.0034183676,0.0048042405,0.0001582499,0.00005608796,0.000032217944,0.00013007925,0.00014198436,0.0019338502],"genre_scores_gemma":[0.9978115,0.0010913383,0.0005819893,0.000040742856,0.000006735666,0.000014594495,0.00012221778,0.000006712331,0.0003241293],"study_design_codex":"bench_or_experimental","study_design_gemma":"observational","domain_scores_codex":[0.9999151,0.000017157861,0.000010111126,0.000013237571,0.000017024015,0.000027341863],"domain_scores_gemma":[0.9998192,0.000013847812,0.00008892888,0.000016108846,0.00002352707,0.0000384109],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00015629039,0.000274832,0.00036185284,0.0002416308,0.00018934585,0.000304534,0.0001571038,0.00020218169,0.0008402314],"category_scores_gemma":[0.00039999324,0.000110136716,0.00013448528,0.0001818386,0.0004884136,0.0003539977,0.00041768848,0.0005480063,0.00021346807],"study_design_candidate":"observational","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":[0.007353166,0.00009155305,0.008702472,0.00029253223,0.00005587161,0.0020409182,0.00045096554,0.0017911938,0.9488416,0.0026060848,0.0005412838,0.0272323],"study_design_scores_gemma":[0.00017874117,0.0050811647,0.13877396,0.00014308297,0.0001250649,0.007499716,0.00095830555,0.009312825,0.81616014,0.008247283,0.013448767,0.00007107047],"about_ca_topic_score_codex":0.000524153,"about_ca_topic_score_gemma":0.000493486,"teacher_disagreement_score":0.0008402314,"about_ca_system_score_codex":0.00035316224,"about_ca_system_score_gemma":0.00027343034,"threshold_uncertainty_score":0.0028107762},"labels":[],"label_agreement":null},{"id":"W2046220489","doi":"10.2174/157340606776056214","title":"Drug Evolution Concept in Drug Design: 2. Chimera Method","year":2006,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":7,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Biotechnology Research Institute; National Research Council Canada","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Drug; Drug discovery; Chimera (genetics); Computational biology; Computer science; Combinatorial chemistry; Chemistry; Biology; Bioinformatics; Pharmacology; Genetics","score_opus":0.010915557826300557,"score_gpt":0.2855292459592411,"score_spread":0.27461368813294057,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2046220489","genre_codex":"methods","genre_gemma":"methods","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"methods","genre_consensus":"methods","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.0029151966,0.002138444,0.98722744,0.0005240385,0.000075957854,0.000102615064,0.000071091985,0.0004729735,0.0064722276],"genre_scores_gemma":[0.081059635,0.0027405901,0.9109434,0.00042645624,0.000064585016,0.00050060207,0.00016051625,0.00018567119,0.003918537],"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","domain_scores_codex":[0.99922705,0.00038363066,0.000036317524,0.00009322492,0.00021786109,0.000041869116],"domain_scores_gemma":[0.99965084,0.00018607594,0.000030761894,0.000055313612,0.00004791804,0.000029088771],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0016173727,0.0005776676,0.00096547575,0.0009070475,0.0003783056,0.0010549347,0.0011626052,0.0011289981,0.003134137],"category_scores_gemma":[0.001719558,0.0004248579,0.0012514056,0.0008459867,0.0012607487,0.0011066562,0.0012366929,0.0016517163,0.00097573805],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00020865447,0.00008795021,0.0005395288,0.0005464217,0.00015713548,0.00022395414,0.00015722107,0.16038448,0.01335126,0.66226685,0.0041697575,0.15790674],"study_design_scores_gemma":[0.00019640259,0.00018374076,0.00019609528,0.00011928427,0.00008924084,0.0007414376,0.00003186778,0.7172674,0.011702296,0.18149537,0.08790702,0.000069806796],"about_ca_topic_score_codex":0.0007988837,"about_ca_topic_score_gemma":0.00048067071,"teacher_disagreement_score":0.003134137,"about_ca_system_score_codex":0.0010679577,"about_ca_system_score_gemma":0.0012755127,"threshold_uncertainty_score":0.010484695},"labels":[],"label_agreement":null},{"id":"W2046940454","doi":"10.2174/1573406053765477","title":"Investigation of Bioisosteric Effects on the Interaction of Substrates/ Inhibitors with the Methionyl-tRNA Synthetase from Escherichia coli","year":2005,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":11,"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 Waterloo","funders":"","keywords":"Transfer RNA; Escherichia coli; Enzyme; Adenylate kinase; Aminoacyl tRNA synthetase; Biochemistry; Amino acid; Methionine; Chemistry; Biosynthesis; Amino Acyl-tRNA Synthetases; Stereochemistry; Biology; RNA; Gene","score_opus":0.008598077768464404,"score_gpt":0.2180559068823793,"score_spread":0.2094578291139149,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2046940454","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":[0.99708086,0.0012317353,0.00051586155,0.00004162623,0.0000143370735,0.00001514886,0.0000962659,0.00001607803,0.0009879872],"genre_scores_gemma":[0.99788326,0.0007628023,0.0006075295,0.000022955313,0.00000507882,0.0000094607,0.00014576133,0.0000079087295,0.000555333],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9997507,0.00007562896,0.000021436052,0.000034397835,0.000070358066,0.00004755914],"domain_scores_gemma":[0.9997094,0.00013883189,0.00006122533,0.00002396535,0.000043020995,0.000023520159],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00022182759,0.0003703781,0.00030032074,0.00011894825,0.000095907504,0.00024823082,0.00033529225,0.0003554854,0.0006566456],"category_scores_gemma":[0.00042111418,0.00014858253,0.00018584669,0.00017194479,0.00017355887,0.0001774625,0.00011231054,0.00037995534,0.00022672105],"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":[0.0003428452,0.000106486725,0.00028317465,0.000059228107,0.000015593838,0.00005873979,0.000025863099,0.00038024274,0.9970674,0.00005004507,0.00002426469,0.0015862377],"study_design_scores_gemma":[0.000007960271,0.0006403649,0.0009217491,0.0000035837106,0.000012732043,0.00006104588,0.000018252407,0.00045528176,0.9974088,0.0000066945954,0.00045982728,0.000003781736],"about_ca_topic_score_codex":0.0007441403,"about_ca_topic_score_gemma":0.0005687878,"teacher_disagreement_score":0.0007441403,"about_ca_system_score_codex":0.0001739089,"about_ca_system_score_gemma":0.00014325193,"threshold_uncertainty_score":0.0021966696},"labels":[],"label_agreement":null},{"id":"W2050474231","doi":"10.2174/1573406411006030123","title":"Dimethyl-Carbamic Acid 2,3-Bis-Dimethylcarbamoyloxy-6-(4-Ethyl-Piperazine- 1-Carbonyl)-Phenyl Ester: A Novel Multi-Target Therapeutic Approach to Neuroprotection","year":2010,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Cholinesterase and Neurodegenerative Diseases","field":"Medicine","cited_by":9,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"McGill University Health Centre","funders":"National Institute on Aging","keywords":"Neuroprotection; Acetylcholinesterase; Pharmacology; Carbamic acid; In vivo; Mitochondrion; Antioxidant; Prodrug; Chemistry; Metabolite; Biochemistry; Biology; Enzyme","score_opus":0.027960599156650025,"score_gpt":0.2899889554234634,"score_spread":0.2620283562668134,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2050474231","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":[0.9403665,0.028445015,0.020755854,0.0005578459,0.000149234,0.00021712299,0.00043871222,0.00027063326,0.008799064],"genre_scores_gemma":[0.97595835,0.008755581,0.009384713,0.00014452559,0.000050416176,0.00007069551,0.0003106621,0.00001730483,0.005307807],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999392,0.000010075235,0.000004383799,0.000013638424,0.00001483644,0.000017911083],"domain_scores_gemma":[0.99996793,0.000002033813,0.000009976649,0.0000029503633,0.0000066999796,0.00001041417],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00012638753,0.0004544101,0.00024530562,0.0001910267,0.00012018139,0.00016709385,0.00035954997,0.00032908586,0.0012737244],"category_scores_gemma":[0.000049419486,0.00011041591,0.00022138958,0.00013177884,0.00012839351,0.00027037578,0.00017642674,0.00040810206,0.00048009763],"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":[0.00015916848,0.00006204441,0.00006605815,0.000112679365,0.000011337228,0.00011505713,0.000010166115,0.00013739971,0.9911739,0.00019664696,0.00008257292,0.007872929],"study_design_scores_gemma":[0.00005719046,0.0013515137,0.00089801743,0.000007418015,0.000033935776,0.00056623854,0.00001025305,0.0005022915,0.98966706,0.000044391094,0.0068523204,0.000009329883],"about_ca_topic_score_codex":0.00037085652,"about_ca_topic_score_gemma":0.00060238055,"teacher_disagreement_score":0.0012737244,"about_ca_system_score_codex":0.00016023261,"about_ca_system_score_gemma":0.00018129428,"threshold_uncertainty_score":0.004261017},"labels":[],"label_agreement":null},{"id":"W2063369576","doi":"10.2174/1573406411208061133","title":"Identification of Small Molecule Sulfonic Acids as Ecto-5'-Nucleotidase Inhibitors","year":2012,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"HIV/AIDS drug development and treatment","field":"Medicine","cited_by":18,"is_retracted":false,"has_abstract":true,"route_ca_aff":false,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"","funders":"Canadian Institutes of Health Research","keywords":"5'-nucleotidase; Chemistry; Identification (biology); Small molecule; Molecule; Combinatorial chemistry; Computational biology; Biochemistry; Enzyme; Biology; Organic chemistry","score_opus":0.010210763719401475,"score_gpt":0.25289948300524534,"score_spread":0.24268871928584387,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2063369576","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":[0.97441745,0.014889914,0.006115656,0.00015599116,0.00003803723,0.00017698584,0.00039909175,0.000068380155,0.0037385842],"genre_scores_gemma":[0.97965187,0.009621917,0.0065929494,0.000079778,0.00003187377,0.00006086614,0.0007563173,0.000010274992,0.0031940932],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999329,0.000016625336,0.0000055570067,0.000009556445,0.000018665929,0.000016668342],"domain_scores_gemma":[0.9999262,0.000015805233,0.000016619944,0.0000039891747,0.000016245182,0.00002120366],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00016398003,0.00033769823,0.00033532552,0.00024017549,0.00008844357,0.0002095312,0.00017907868,0.00020649296,0.0013035187],"category_scores_gemma":[0.00011424226,0.000104061,0.00018720084,0.00018151604,0.00015555533,0.00014100727,0.00010689724,0.0003016102,0.00028865846],"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":[0.0002490452,0.00008739542,0.00046113503,0.00011071548,0.00001611877,0.0001454728,0.000022042132,0.0003854984,0.98884404,0.00019860559,0.00007480654,0.00940505],"study_design_scores_gemma":[0.00013977132,0.002614923,0.003799846,0.000020235397,0.00007005752,0.0005003918,0.000027377444,0.001074393,0.9840475,0.00006829303,0.0076275333,0.000009825763],"about_ca_topic_score_codex":0.0005277339,"about_ca_topic_score_gemma":0.0016261023,"teacher_disagreement_score":0.0013035187,"about_ca_system_score_codex":0.00024234928,"about_ca_system_score_gemma":0.00023269859,"threshold_uncertainty_score":0.0043607354},"labels":[],"label_agreement":null},{"id":"W2072271351","doi":"10.2174/157340606776930745","title":"In vitro Anti-Mycobacterial Activities of Various 2-Deoxyuridine, 2- Arabinouridine and 2-Arabinofluoro-2-deoxyuridine Analogues: Synthesis and Biological Studies","year":2006,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":14,"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 Alberta","funders":"Faculty of Medicine and Dentistry, University of Alberta; Canadian Institutes of Health Research","keywords":"In vitro; Tuberculosis; Deoxyuridine; Mycobacterium bovis; Chemistry; Mycobacterium tuberculosis; Mycobacterium; Microbiology; Medicine; Stereochemistry; Biology; Biochemistry; Pathology; DNA","score_opus":0.018999951770649916,"score_gpt":0.24196642982940678,"score_spread":0.22296647805875686,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2072271351","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":[0.9657282,0.029237064,0.0019398016,0.000048993297,0.00005169939,0.000057782025,0.00049481785,0.000033890155,0.0024076947],"genre_scores_gemma":[0.9818511,0.011935601,0.003389297,0.000043973738,0.000040396197,0.000032731874,0.0010746199,0.000010565136,0.001621746],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9998603,0.000058487414,0.000013075209,0.000016819655,0.000030165227,0.000021096934],"domain_scores_gemma":[0.99984956,0.00006472866,0.000026566388,0.000010360468,0.000024955836,0.000023851231],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00030725027,0.00039480344,0.00030439353,0.00017109924,0.000111882975,0.00013519733,0.00022084608,0.0002291457,0.0012600278],"category_scores_gemma":[0.00025418014,0.00015147029,0.00017983413,0.00023005616,0.00013135205,0.00013042621,0.00009133778,0.00021719416,0.00030945506],"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":[0.00033113948,0.00008549025,0.0001130465,0.0002183759,0.000010746143,0.000041347557,0.000027110804,0.00030546525,0.9951292,0.000039325154,0.00002723379,0.0036715514],"study_design_scores_gemma":[0.00004345407,0.003621596,0.0012776285,0.000013271018,0.000031300347,0.00018373951,0.000011186322,0.00032914526,0.99251246,0.000016668908,0.0019551388,0.000004377645],"about_ca_topic_score_codex":0.00035543402,"about_ca_topic_score_gemma":0.00060271623,"teacher_disagreement_score":0.0012600278,"about_ca_system_score_codex":0.00010312887,"about_ca_system_score_gemma":0.00013081433,"threshold_uncertainty_score":0.0042152405},"labels":[],"label_agreement":null},{"id":"W2096235252","doi":"10.2174/1573406411309060009","title":"Effects of Biphenyl Sulfonylamino Methyl Bisphosphonic Acids on Porphyromonas Gingivalis and Cytokine Secretion by Oral Epithelial Cells","year":2013,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Bone health and treatments","field":"Medicine","cited_by":4,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Université Laval","funders":"","keywords":"Porphyromonas gingivalis; Secretion; Periodontitis; Bisphosphonate; Cytokine; Lipopolysaccharide; Chemistry; Pharmacology; Internal medicine; Medicine; Microbiology; Biology; Osteoporosis","score_opus":0.005732241333244596,"score_gpt":0.23778413098681522,"score_spread":0.23205188965357063,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2096235252","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":[0.993958,0.0042132926,0.00043293726,0.00010362321,0.000051616527,0.000025722815,0.0002211784,0.0000187981,0.0009747929],"genre_scores_gemma":[0.9934675,0.00321307,0.0012831606,0.00012520993,0.00003771251,0.000046139536,0.0002684537,0.0000044981975,0.0015544378],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9998447,0.00004768997,0.000018538969,0.00001597813,0.000038282782,0.00003476398],"domain_scores_gemma":[0.9999037,0.000024115421,0.00002881601,0.000008442122,0.000016560682,0.000018338907],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00015462103,0.00039915773,0.00020992912,0.00014984598,0.00013028824,0.00017468401,0.00011795372,0.00026986713,0.0009226578],"category_scores_gemma":[0.0001232879,0.00008717618,0.00017596943,0.0001823308,0.00013797816,0.000107279986,0.0001441922,0.00027474764,0.00022368494],"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":[0.00038308988,0.000050113344,0.00015091602,0.00007155993,0.0000035518285,0.00003319557,0.000015576621,0.000046540652,0.9975702,0.000019917217,0.00001755276,0.0016377514],"study_design_scores_gemma":[0.0000712445,0.0028533265,0.00917444,0.000016298709,0.000026045907,0.000117064104,0.00008445347,0.00043816038,0.9847659,0.000032194443,0.0024127818,0.000008051028],"about_ca_topic_score_codex":0.0014201427,"about_ca_topic_score_gemma":0.0018111168,"teacher_disagreement_score":0.0014201427,"about_ca_system_score_codex":0.00011247281,"about_ca_system_score_gemma":0.00026282377,"threshold_uncertainty_score":0.003086567},"labels":[],"label_agreement":null},{"id":"W2108798400","doi":"10.2174/1573406053175238","title":"Selection of Molecular Descriptors with Artificial Intelligence for the Understanding of HIV-1 Protease Peptidomimetic Inhibitors-activity","year":2005,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":15,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Montreal General Hospital","funders":"","keywords":"Quantitative structure–activity relationship; Molecular descriptor; HIV-1 protease; Peptidomimetic; Feature selection; Protease; Artificial intelligence; Lipophilicity; Artificial neural network; Chemistry; Computational biology; Machine learning; Computer science; Stereochemistry; Biology; Biochemistry; Enzyme; Peptide","score_opus":0.04837339924905645,"score_gpt":0.2959517512888909,"score_spread":0.24757835203983444,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2108798400","genre_codex":"methods","genre_gemma":"methods","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"methods","genre_consensus":"methods","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.3719942,0.0025002705,0.62150574,0.00035393907,0.000032400614,0.00015810365,0.0002572069,0.0005013108,0.002696814],"genre_scores_gemma":[0.87085867,0.0009214614,0.12712596,0.000055950997,0.000029665347,0.00014225929,0.00037542416,0.000025182631,0.00046541292],"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","domain_scores_codex":[0.9996915,0.00013910825,0.000025622487,0.00003774773,0.00009101364,0.000015050046],"domain_scores_gemma":[0.99946994,0.00036127283,0.00006670621,0.0000260291,0.00006551795,0.000010564072],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0007249608,0.00057743175,0.0007567259,0.0011055118,0.00011148351,0.00050746166,0.0002978346,0.00036678935,0.00046294523],"category_scores_gemma":[0.0021290884,0.00019636417,0.00051421055,0.0010881537,0.00025750755,0.00047322217,0.00026488685,0.0004370856,0.00013817265],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00022170116,0.00020903606,0.0053058774,0.00023315233,0.000150864,0.0001321541,0.000040110088,0.7817413,0.019250374,0.0023352094,0.00040734836,0.18997286],"study_design_scores_gemma":[0.000017377646,0.00013169672,0.002099152,0.000010681865,0.00003360325,0.000034770623,0.000011030408,0.99163556,0.00405546,0.0014703937,0.0004911829,0.00000901211],"about_ca_topic_score_codex":0.0011356799,"about_ca_topic_score_gemma":0.0009983139,"teacher_disagreement_score":0.0011356799,"about_ca_system_score_codex":0.00035694477,"about_ca_system_score_gemma":0.0005079374,"threshold_uncertainty_score":0.0038340092},"labels":[],"label_agreement":null},{"id":"W2119860611","doi":"10.2174/157340613804488323","title":"Synthesis and Opioid Activity of Novel 6-ketolevorphanol Derivatives","year":2012,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Neuropeptides and Animal Physiology","field":"Neuroscience","cited_by":8,"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 Calgary","funders":"","keywords":"Chemistry; Agonist; Stereochemistry; Potency; Antagonist; Affinities; Opioid; Receptor; In vitro; Opioid receptor; Ring (chemistry); μ-opioid receptor; Pharmacology; Analgesic; Biochemistry; Medicine","score_opus":0.04029656402345957,"score_gpt":0.274128388280647,"score_spread":0.23383182425718743,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2119860611","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":[0.98695105,0.004887628,0.0036261922,0.00010374195,0.000041667317,0.000059528214,0.00051457866,0.000033948123,0.0037816488],"genre_scores_gemma":[0.98873967,0.004603908,0.0035189546,0.00007682054,0.000022182543,0.00003769022,0.00052665727,0.000007148061,0.0024669857],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999752,0.000004425721,0.0000032408923,0.000004600898,0.0000049049227,0.000007654051],"domain_scores_gemma":[0.99996173,0.000003987848,0.000012536605,0.0000032584205,0.00000719975,0.000011355274],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00005739088,0.00025409414,0.00015689705,0.000107557775,0.00007016864,0.00011184884,0.00020017086,0.00011448677,0.001400809],"category_scores_gemma":[0.00006402385,0.00007300261,0.00010945555,0.00009698676,0.000103121005,0.00018400655,0.00010897015,0.00026529783,0.00023891272],"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":[0.00038221694,0.0000868341,0.00031991294,0.00022730854,0.000015880993,0.00037789458,0.00004934699,0.000715105,0.983557,0.0004925526,0.00011019705,0.013665834],"study_design_scores_gemma":[0.00013278342,0.0035701673,0.006724367,0.000034010565,0.000076434495,0.0011636983,0.00008829808,0.0011362784,0.9729934,0.00024281062,0.013803789,0.000033913046],"about_ca_topic_score_codex":0.00031196797,"about_ca_topic_score_gemma":0.0005996573,"teacher_disagreement_score":0.001400809,"about_ca_system_score_codex":0.00013044139,"about_ca_system_score_gemma":0.00013049811,"threshold_uncertainty_score":0.004686117},"labels":[],"label_agreement":null},{"id":"W2128468782","doi":"10.2174/157340609788185909","title":"Possible Drug Candidates for Alzheimers Disease Deduced from Studying their Binding Interactions with α7 Nicotinic Acetylcholine Receptor","year":2009,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Cholinesterase and Neurodegenerative Diseases","field":"Medicine","cited_by":52,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Institute for Biological Sciences","funders":"National Cancer Institute","keywords":"Docking (animal); Chemistry; Nicotinic acetylcholine receptor; Hydrogen bond; Nicotinic agonist; Drug discovery; Molecule; Molecular dynamics; Biophysics; Receptor; Computational chemistry; Biochemistry; Biology; Medicine","score_opus":0.04208362176876451,"score_gpt":0.32089824088501273,"score_spread":0.2788146191162482,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2128468782","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":[0.9529687,0.026328733,0.0067680716,0.0006360474,0.00006520788,0.0004103685,0.0009875597,0.00018700758,0.011648239],"genre_scores_gemma":[0.96606123,0.013893275,0.014295932,0.00025772094,0.000033701595,0.00015657331,0.0013516252,0.000010348632,0.003939541],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99996483,0.000010375566,0.0000028859727,0.000005974453,0.000008584035,0.0000073305177],"domain_scores_gemma":[0.99996793,0.000011159793,0.000007642923,0.0000014773716,0.000004764891,0.00000708559],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00013392375,0.0003773903,0.00065206416,0.00044080117,0.00020375814,0.0002999536,0.00017897334,0.00024594567,0.004318051],"category_scores_gemma":[0.00017587481,0.00014606272,0.00032335045,0.0002776863,0.00012969512,0.0002268045,0.00012559773,0.00020750368,0.00047860554],"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":[0.0052583893,0.0013819906,0.0135975685,0.002770136,0.00028802018,0.0052849697,0.00022624151,0.021706337,0.707044,0.011496293,0.0030743883,0.22787164],"study_design_scores_gemma":[0.004948846,0.018026885,0.053106382,0.00058941706,0.0029629627,0.0062931585,0.0008134343,0.060801227,0.77462095,0.011748185,0.06590352,0.00018493245],"about_ca_topic_score_codex":0.00029012654,"about_ca_topic_score_gemma":0.00085571554,"teacher_disagreement_score":0.004318051,"about_ca_system_score_codex":0.00017747942,"about_ca_system_score_gemma":0.00033806206,"threshold_uncertainty_score":0.0144453645},"labels":[],"label_agreement":null},{"id":"W2143000209","doi":"10.2174/157340606778250252","title":"A First QSAR Model for Galectin-3 Glycomimetic Inhibitors Based on 3D Docked Structures","year":2006,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Galectins and Cancer Biology","field":"Immunology and Microbiology","cited_by":20,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Université du Québec à Montréal","funders":"","keywords":"Quantitative structure–activity relationship; Principal component analysis; Partial least squares regression; Molecular descriptor; Chemistry; Binding affinities; Artificial neural network; Artificial intelligence; Computational biology; Computer science; Stereochemistry; Machine learning; Biology; Biochemistry","score_opus":0.007768646001542558,"score_gpt":0.22393628049517267,"score_spread":0.2161676344936301,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2143000209","genre_codex":"methods","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":null,"domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.08367647,0.0010969434,0.90744334,0.0003981326,0.00006466775,0.0002299384,0.0014034136,0.00086523907,0.004821877],"genre_scores_gemma":[0.8649214,0.0015779247,0.12695968,0.00021854676,0.000056715347,0.000629868,0.0019340345,0.00011746258,0.0035842708],"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","domain_scores_codex":[0.99970454,0.00011780126,0.000015036184,0.000043879416,0.00009167846,0.000027081578],"domain_scores_gemma":[0.9996238,0.00025077505,0.000038054237,0.000019179286,0.00005950678,0.000008826035],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00058418396,0.0008310668,0.0009827806,0.00040318357,0.00019412319,0.00055644143,0.000632111,0.0006214538,0.0017049051],"category_scores_gemma":[0.0013566912,0.00029919017,0.001108568,0.0005080858,0.0002961804,0.0005277183,0.00030412027,0.00082581484,0.0004988113],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.000062817206,0.0000323011,0.00044396528,0.000094972536,0.000045363406,0.000046623147,0.000025022182,0.97351414,0.0069137267,0.0026512225,0.00062333327,0.0155465],"study_design_scores_gemma":[0.000011156611,0.00006919649,0.000265484,0.000006443793,0.00001347446,0.000023871902,0.000004085146,0.9964192,0.0015017268,0.00095798273,0.00071941403,0.000007883326],"about_ca_topic_score_codex":0.0033881147,"about_ca_topic_score_gemma":0.0023213718,"teacher_disagreement_score":0.0033881147,"about_ca_system_score_codex":0.0006942843,"about_ca_system_score_gemma":0.0006560999,"threshold_uncertainty_score":0.0067367554},"labels":[],"label_agreement":null},{"id":"W2147672878","doi":"10.2174/157340607779317625","title":"Biophysical Characterization of the Interaction of Endotoxins with Hemoglobins","year":2006,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Hemoglobin structure and function","field":"Biochemistry, Genetics and Molecular Biology","cited_by":16,"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 Health Network","funders":"","keywords":"Lipopolysaccharide; Bacterial outer membrane; Isothermal titration calorimetry; Immune system; Hemoglobin; Bacteria; Chemistry; Cytokine; Biochemistry; Cell biology; Microbiology; Biology; Immunology; Escherichia coli","score_opus":0.003129646349729422,"score_gpt":0.19570038950908952,"score_spread":0.1925707431593601,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2147672878","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":[0.99603844,0.0003518391,0.0028126505,0.00007973688,0.000012339111,0.000005694737,0.00009484226,0.000015524754,0.00058898923],"genre_scores_gemma":[0.9979063,0.00019798058,0.0011483037,0.00004392326,0.0000068878894,0.000009013916,0.00019324725,0.0000063027937,0.00048813006],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.999894,0.000026465079,0.0000055686314,0.000015691649,0.000034830744,0.00002337041],"domain_scores_gemma":[0.9998234,0.00004838104,0.00004826831,0.000010793808,0.000034919216,0.00003428564],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00016223163,0.00012593447,0.00011802618,0.00011739693,0.00015134482,0.00015754063,0.0001240342,0.00016523835,0.0005651496],"category_scores_gemma":[0.00041541617,0.00006477343,0.00008601656,0.00011241297,0.00015101544,0.00012306355,0.00011311125,0.00035467464,0.00012462746],"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":[0.000031518528,0.000019438516,0.00032870824,0.000009717176,0.0000035051228,0.00002220835,0.000018888235,0.000110199595,0.9988249,0.00006724569,0.00003555772,0.0005280793],"study_design_scores_gemma":[0.000010948037,0.00027929092,0.014157596,0.000005986901,0.000014657835,0.00019013483,0.000076581564,0.0063948864,0.9771906,0.00011105326,0.001557199,0.00001099854],"about_ca_topic_score_codex":0.00032266838,"about_ca_topic_score_gemma":0.00014272048,"teacher_disagreement_score":0.0005651496,"about_ca_system_score_codex":0.00010531733,"about_ca_system_score_gemma":0.00007670356,"threshold_uncertainty_score":0.0018905997},"labels":[],"label_agreement":null},{"id":"W2159358920","doi":"10.2174/1573406053402488","title":"Synthesis of A/B-Ring Partial Analogs of Bruceantin as Potential Antimalarial Agents","year":2005,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Multicomponent Synthesis of Heterocycles","field":"Chemistry","cited_by":7,"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 British Columbia","funders":"U.S. Public Health Service; U.S. Department of Veterans Affairs","keywords":"Moiety; Bioassay; Ring (chemistry); Natural product; Chemistry; Stereochemistry; Combinatorial chemistry; Antimalarial Agent; Biology; Organic chemistry; Plasmodium falciparum; Malaria","score_opus":0.013585855800064483,"score_gpt":0.2568792762812702,"score_spread":0.24329342048120572,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2159358920","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":[0.9667972,0.004483743,0.013698994,0.00012791475,0.00006840452,0.00050177553,0.0009112557,0.00019358458,0.013217176],"genre_scores_gemma":[0.97414625,0.0032133213,0.01693151,0.00013475034,0.0000353784,0.00021170334,0.00077228784,0.000026228088,0.0045284466],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999354,0.000014199988,0.000009202679,0.000013233345,0.000013985771,0.000014089415],"domain_scores_gemma":[0.9999155,0.0000120051345,0.000019796707,0.000012303784,0.00001463177,0.00002580161],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00016305482,0.0002988663,0.00024707615,0.0003109278,0.00014834187,0.0001754765,0.00035722408,0.00020305123,0.003291113],"category_scores_gemma":[0.00014854768,0.00013925951,0.00017904009,0.00022923858,0.00012848475,0.00022352651,0.0002215059,0.00031463167,0.0007053004],"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":[0.0002392224,0.00014565083,0.00017777279,0.00020820207,0.000021250124,0.00014399979,0.000030917978,0.0015115269,0.978028,0.0008420966,0.00018985997,0.018461483],"study_design_scores_gemma":[0.00031711347,0.008070106,0.0028336411,0.000040436284,0.00009354967,0.0007201792,0.000036276757,0.0026611665,0.9705658,0.00045717144,0.014181718,0.000022810511],"about_ca_topic_score_codex":0.00021163176,"about_ca_topic_score_gemma":0.0005624732,"teacher_disagreement_score":0.003291113,"about_ca_system_score_codex":0.00017742932,"about_ca_system_score_gemma":0.00021945273,"threshold_uncertainty_score":0.011009812},"labels":[],"label_agreement":null},{"id":"W2160401835","doi":"10.2174/157340608786241981","title":"A Comparison of the Biological Properties of Small Molecular Weight Agonists and Antagonists of CD200:CD200R Interactions","year":2008,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Neuroinflammation and Neurodegeneration Mechanisms","field":"Neuroscience","cited_by":3,"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 Health Network","funders":"Canadian Institutes of Health Research; Hospital for Sick Children","keywords":"Mediator; Effector; Immunology; Myeloid; Receptor; Rodent; Biology; Mast cell; Small molecule; Disease; Cancer research; Medicine; Pharmacology; Cell biology; Internal medicine; Genetics","score_opus":0.09635788280535086,"score_gpt":0.2909793321727891,"score_spread":0.19462144936743825,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2160401835","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":[0.9825271,0.010199345,0.0017912616,0.0001510985,0.00007215354,0.00008365447,0.00032512704,0.0000473277,0.0048029656],"genre_scores_gemma":[0.98766786,0.006561002,0.0023183003,0.00020648367,0.00006939361,0.00007846622,0.0007310401,0.000014562278,0.002352852],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99993277,0.00001846545,0.000008259976,0.000008747585,0.000014499849,0.000017288914],"domain_scores_gemma":[0.9998332,0.000077604265,0.000019760262,0.00001559999,0.000018177307,0.000035559824],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000181737,0.00026421444,0.00036470342,0.00028713592,0.00009942483,0.00021372916,0.00014382652,0.00026533272,0.0021574844],"category_scores_gemma":[0.00029505359,0.000089199166,0.00021091524,0.00015198185,0.00015048817,0.00027153955,0.00007548149,0.00048143783,0.00039463522],"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":[0.0008227384,0.00026315442,0.0001864806,0.00015790522,0.00003427926,0.00007056976,0.000026746717,0.00022976343,0.9812118,0.0001882747,0.00012616128,0.01668214],"study_design_scores_gemma":[0.0002767745,0.025409264,0.008164394,0.000023233284,0.00018422728,0.0011163969,0.000067125424,0.00091899675,0.9555719,0.0003123321,0.007930025,0.000025398269],"about_ca_topic_score_codex":0.000098577366,"about_ca_topic_score_gemma":0.0001934696,"teacher_disagreement_score":0.0021574844,"about_ca_system_score_codex":0.000081600054,"about_ca_system_score_gemma":0.00011194583,"threshold_uncertainty_score":0.007217467},"labels":[],"label_agreement":null},{"id":"W2166535645","doi":"10.2174/1573406411666150212120628","title":"New Testosterone Derivatives as Semi-Synthetic Anticancer Agents Against Prostate Cancer: Synthesis and Preliminary Biological Evaluation","year":2015,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Prostate Cancer Treatment and Research","field":"Medicine","cited_by":5,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Université du Québec à Trois-Rivières","funders":"","keywords":"Cyproterone acetate; Prostate cancer; Antiandrogen; Testosterone (patch); Medicine; Abiraterone acetate; LNCaP; Bicalutamide; Androgen; Hormone; Pharmacology; Cancer; Internal medicine; Oncology; Androgen deprivation therapy; Androgen receptor","score_opus":0.08506915519158377,"score_gpt":0.3664941828855822,"score_spread":0.28142502769399846,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2166535645","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":[0.8681489,0.0915457,0.022034878,0.00028702305,0.00034229102,0.0005239418,0.0020171334,0.00021167567,0.014888502],"genre_scores_gemma":[0.9425705,0.037250064,0.012089917,0.00014120998,0.00009213224,0.0001237959,0.0009663044,0.00002180556,0.006744227],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999511,0.000009580674,0.0000046997156,0.000006621154,0.000018405219,0.000009674573],"domain_scores_gemma":[0.999966,0.000004236413,0.000007210177,0.0000024231492,0.000008104765,0.000012099719],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00013503396,0.00027924395,0.00021973747,0.0001698716,0.000099419616,0.00014079244,0.00016983159,0.00015375845,0.0017065232],"category_scores_gemma":[0.00009120419,0.000081356084,0.00019899652,0.00018954222,0.00010575359,0.00018388483,0.00010368036,0.00029016915,0.00046145936],"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":[0.00036158506,0.00025510121,0.00020713352,0.0015623969,0.000030032808,0.0003452948,0.00011667128,0.0015658605,0.96903306,0.0013388087,0.00059576484,0.024588324],"study_design_scores_gemma":[0.00012345116,0.007107451,0.0019889625,0.00006938745,0.000071506875,0.000649888,0.00006823109,0.0011293527,0.9517504,0.00022456143,0.03678346,0.000033382632],"about_ca_topic_score_codex":0.00027260336,"about_ca_topic_score_gemma":0.00056339847,"teacher_disagreement_score":0.0017065232,"about_ca_system_score_codex":0.000108360546,"about_ca_system_score_gemma":0.00019416316,"threshold_uncertainty_score":0.0057088733},"labels":[],"label_agreement":null},{"id":"W2219037964","doi":"10.2174/1573406411666150504123750","title":"Exploring the Synthesis and Anticancer Potential of L-Tyrosine-Platinum(II) Hybrid Molecules","year":2015,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Metal complexes synthesis and properties","field":"Medicine","cited_by":6,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Université du Québec à Trois-Rivières","funders":"","keywords":"Platinum; Tyrosine; Molecule; Chemistry; Combinatorial chemistry; Biochemistry; Organic chemistry; Catalysis","score_opus":0.09986703246077945,"score_gpt":0.2616403200809092,"score_spread":0.16177328762012977,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2219037964","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":[0.9821752,0.0031010597,0.011360424,0.000081414444,0.000020976888,0.000053484124,0.00012495214,0.00007919607,0.0030033595],"genre_scores_gemma":[0.9868528,0.0012046203,0.010084821,0.000036434205,0.0000060912644,0.000036866357,0.00010425627,0.000012628797,0.001661433],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99994636,0.000008006678,0.000004538085,0.000015375674,0.00001357881,0.000012182382],"domain_scores_gemma":[0.99996626,0.000005767532,0.000010781665,0.0000040119817,0.0000048287893,0.000008280193],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008877827,0.00021681387,0.0001931152,0.00015761741,0.00010618153,0.0002458596,0.0002529296,0.00028480508,0.0007823715],"category_scores_gemma":[0.0001009851,0.00013526723,0.00017927088,0.00018395095,0.00012519084,0.0002698741,0.00021327684,0.00027230722,0.0002509326],"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":[0.00006917813,0.000029443328,0.00013795857,0.00012371645,0.000013239051,0.00012182013,0.000034960416,0.0005234943,0.99297935,0.000492811,0.000035628775,0.005438384],"study_design_scores_gemma":[0.000018363593,0.00050851423,0.0006722103,0.000005687425,0.000023964165,0.00023508111,0.000018034929,0.00089460536,0.99377245,0.00006771259,0.0037743002,0.000009113268],"about_ca_topic_score_codex":0.0002087483,"about_ca_topic_score_gemma":0.00035849714,"teacher_disagreement_score":0.0007823715,"about_ca_system_score_codex":0.00021493075,"about_ca_system_score_gemma":0.00010685791,"threshold_uncertainty_score":0.0026172996},"labels":[],"label_agreement":null},{"id":"W2282635632","doi":"10.2174/1573406411666150430121640","title":"Antibacterial and Anti-inflammatory Activities of Ppc-1, Active Principle of the Cellular Slime Mold Polysphondylium pseudo-candidum","year":2015,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Chemical synthesis and alkaloids","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Université Laval","funders":"","keywords":"Antibacterial activity; Microbiology; Lipopolysaccharide; Porphyromonas gingivalis; Bacteria; Biology; Chemistry; Immunology","score_opus":0.009743374843910604,"score_gpt":0.21509271587258863,"score_spread":0.20534934102867802,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2282635632","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":[0.9853871,0.00948211,0.001579504,0.00011233109,0.00003050258,0.00006276386,0.00042655514,0.000033923367,0.0028851435],"genre_scores_gemma":[0.99492115,0.002354878,0.0015457973,0.000057342568,0.000015933922,0.000016380547,0.0002743452,0.0000049674127,0.00080941094],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999541,0.0000074650175,0.000003215257,0.0000082962,0.000016512375,0.000010337773],"domain_scores_gemma":[0.9999577,0.000007645885,0.000010865615,0.000003688184,0.0000071002364,0.000012952801],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00007672843,0.00032974628,0.00017325183,0.00027047633,0.00010071659,0.00015269348,0.0001289776,0.00019434911,0.00051758834],"category_scores_gemma":[0.00008767547,0.000055519995,0.0001636364,0.00017156647,0.00017784328,0.00012633331,0.00013121097,0.00029899,0.00012255217],"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":[0.00005592025,0.000016989163,0.00007679281,0.00008971962,0.0000023889754,0.000055868913,0.0000071029754,0.000067462155,0.997068,0.000045206416,0.000017412161,0.0024972188],"study_design_scores_gemma":[0.000029482837,0.0012044114,0.005921535,0.000015528882,0.000023621362,0.00032550463,0.000017095625,0.00032286713,0.98942894,0.000047334113,0.0026558137,0.0000079073525],"about_ca_topic_score_codex":0.00038237884,"about_ca_topic_score_gemma":0.0005608981,"teacher_disagreement_score":0.00051758834,"about_ca_system_score_codex":0.00011315504,"about_ca_system_score_gemma":0.00028994904,"threshold_uncertainty_score":0.0017314553},"labels":[],"label_agreement":null},{"id":"W2318920969","doi":"10.2174/157340611794859352","title":"Chemical Synthesis, Characterisation and Biological Evaluation of Furanic- Estradiol Derivatives as Inhibitors of 17β-Hydroxysteroid Dehydrogenase Type 1","year":2011,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Hormonal Regulation and Hypertension","field":"Medicine","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":"Wilfrid Laurier University; Centre hospitalier de l'Université Laval; Centre hospitalier universitaire de Québec","funders":"Canadian Institutes of Health Research","keywords":"Hydroxysteroid dehydrogenase; Dehydrogenase; Combinatorial chemistry; Chemistry; 11β-hydroxysteroid dehydrogenase type 1; Enzyme; Biochemistry","score_opus":0.11330634939262971,"score_gpt":0.3041589448177555,"score_spread":0.1908525954251258,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2318920969","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":[0.98066485,0.007608349,0.0054063844,0.000095191244,0.000038284168,0.00019780899,0.0008403988,0.00004687379,0.005101986],"genre_scores_gemma":[0.9781885,0.0058757416,0.0070950543,0.000062946965,0.000016327413,0.00010538497,0.0013000525,0.000023221912,0.007332744],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999057,0.000019817899,0.0000076981,0.000017259123,0.00002406846,0.000025400519],"domain_scores_gemma":[0.99992037,0.000015262958,0.000014447812,0.000009524409,0.000027220114,0.000013222726],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001621067,0.00030232937,0.00024649382,0.00017236402,0.00012449075,0.0001313354,0.00023820125,0.00021508904,0.0011200934],"category_scores_gemma":[0.00015451756,0.00011575785,0.00021702483,0.00022308962,0.000121811536,0.000118088654,0.00011422157,0.0002473859,0.00045244026],"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":[0.00012873337,0.000067059285,0.00013547098,0.00010296127,0.00001063376,0.00011243777,0.000029125267,0.000553673,0.99398756,0.00015440745,0.00006083161,0.004657184],"study_design_scores_gemma":[0.000020032334,0.00069569057,0.0008302958,0.000009605269,0.000017672843,0.000119800345,0.000016399197,0.00026730009,0.9919304,0.000025308998,0.006058898,0.000008589923],"about_ca_topic_score_codex":0.0009163914,"about_ca_topic_score_gemma":0.0012759507,"teacher_disagreement_score":0.0011200934,"about_ca_system_score_codex":0.00019571146,"about_ca_system_score_gemma":0.00017157105,"threshold_uncertainty_score":0.0037471056},"labels":[],"label_agreement":null},{"id":"W2326059217","doi":"10.4172/2161-0444.1000144","title":"Synthesis and Evaluation of Anticancer Activity of O-allylchalcone Derivatives","year":2013,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Fungal Plant Pathogen Control","field":"Agricultural and Biological Sciences","cited_by":10,"is_retracted":false,"has_abstract":true,"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; Agence Universitaire de la Francophonie; Université du Québec à Montréal","keywords":"Chemistry; Combinatorial chemistry; Pharmacology; Computational biology; Medicine; Biology","score_opus":0.023839060949823403,"score_gpt":0.236698791187303,"score_spread":0.2128597302374796,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2326059217","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":[0.98797274,0.0029123118,0.002911759,0.00006524759,0.00002360309,0.00016818805,0.00080613553,0.0001054261,0.005034603],"genre_scores_gemma":[0.99190533,0.0020085487,0.002964168,0.0000385551,0.0000142798035,0.00006287135,0.00077124254,0.000014354545,0.0022205545],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999521,0.000009149592,0.0000049343053,0.000008276016,0.000013540068,0.000012062405],"domain_scores_gemma":[0.99991024,0.000010929085,0.000015817162,0.0000102359445,0.000025107653,0.000027592803],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00007817422,0.0003322623,0.00023295432,0.00039807337,0.0001180003,0.00015924653,0.00022879466,0.00015294294,0.0019403221],"category_scores_gemma":[0.00012946728,0.0000682399,0.00013983967,0.00037442902,0.00014030529,0.00015790263,0.000121563906,0.00019836702,0.0003190253],"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":[0.00027004982,0.00013634602,0.00046586682,0.00017005145,0.000011086654,0.00023685533,0.000031235297,0.0005154669,0.98656195,0.00023065302,0.00012485815,0.0112456605],"study_design_scores_gemma":[0.000073151634,0.0028044991,0.003713721,0.00001362629,0.000025947134,0.00027437136,0.000028547402,0.00065910787,0.9883128,0.00006836576,0.004015781,0.000010128613],"about_ca_topic_score_codex":0.0005944533,"about_ca_topic_score_gemma":0.0013436351,"teacher_disagreement_score":0.0019403221,"about_ca_system_score_codex":0.00025274302,"about_ca_system_score_gemma":0.00021230234,"threshold_uncertainty_score":0.0064910054},"labels":[],"label_agreement":null},{"id":"W2464355131","doi":"10.2174/1573406412666160710210907","title":"Effect of O6-Substituted Guanine Analogs on O6-methylguanine DNA-methyltransferase Expression and Glioblastoma Cells Viability","year":2016,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Glioma Diagnosis and Treatment","field":"Medicine","cited_by":5,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Université de Moncton","funders":"","keywords":"Guanine; Glioblastoma; Methyltransferase; O-6-methylguanine-DNA methyltransferase; DNA methyltransferase; Chemistry; Cancer research; DNA; Temozolomide; Viability assay; Molecular biology; Biology; Biochemistry; In vitro; Methylation; Gene; Nucleotide","score_opus":0.004965127334218911,"score_gpt":0.2497871727030658,"score_spread":0.24482204536884689,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2464355131","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":[0.9968892,0.001614599,0.00027591112,0.000023873072,0.00001078134,0.000012170983,0.00014899143,0.000021043434,0.0010034682],"genre_scores_gemma":[0.997456,0.0014074084,0.00041715204,0.00001616074,0.0000026953119,0.000009714276,0.00017424431,0.000003910571,0.0005125463],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999707,0.000005996882,0.0000020306497,0.0000054022794,0.000008277686,0.000007646895],"domain_scores_gemma":[0.99996626,0.000006125061,0.0000122025085,0.0000024552276,0.0000052798255,0.000007765698],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000046680274,0.00026284682,0.00013809453,0.00010945816,0.00005750598,0.00008739468,0.00014031718,0.0001291361,0.00091130077],"category_scores_gemma":[0.000075401345,0.000051027644,0.000119219745,0.00010071957,0.00006741207,0.00008151855,0.00008787469,0.00015864968,0.00013139915],"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":[0.0008851901,0.00020876256,0.0008623533,0.0001727365,0.000024872834,0.00012510347,0.000025173778,0.0021967562,0.98588216,0.0001343914,0.00012559886,0.009356894],"study_design_scores_gemma":[0.00006223247,0.0044711037,0.0034767836,0.000014621285,0.000052697276,0.00014802691,0.000021763411,0.0020556927,0.98703253,0.000037080066,0.0026171196,0.000010267179],"about_ca_topic_score_codex":0.000623113,"about_ca_topic_score_gemma":0.00091476314,"teacher_disagreement_score":0.00091130077,"about_ca_system_score_codex":0.000109770794,"about_ca_system_score_gemma":0.00009929882,"threshold_uncertainty_score":0.0030485988},"labels":[],"label_agreement":null},{"id":"W2895849502","doi":"10.2174/1573406414666181015142633","title":"Novel Conjugated Unsaturated Ketones with Submicromolar Potencies Towards some Leukemic and Colon Cancer Cells","year":2018,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Cancer, Stress, Anesthesia, and Immune Response","field":"Medicine","cited_by":6,"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 Saskatchewan","funders":"","keywords":"Conjugated system; Colorectal cancer; Chemistry; Cancer research; Cancer; Pharmacology; Medicine; Internal medicine; Organic chemistry","score_opus":0.011319987745612752,"score_gpt":0.2475967943932414,"score_spread":0.23627680664762865,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2895849502","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":[0.99158925,0.0037364871,0.0014543306,0.00006341771,0.00001990302,0.000041514304,0.00034724615,0.000040565817,0.0027072795],"genre_scores_gemma":[0.99289036,0.0027786964,0.002033598,0.000028572882,0.000007681938,0.0000291839,0.00035127872,0.000007495861,0.0018730309],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99996495,0.0000068707727,0.000003706822,0.000006775207,0.000008386179,0.00000939711],"domain_scores_gemma":[0.99994624,0.000008470127,0.000014702566,0.000004900376,0.000012939949,0.00001268934],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008908441,0.00030803247,0.00015800098,0.00018254771,0.00010768811,0.00012803944,0.00012224172,0.00012967038,0.0012258039],"category_scores_gemma":[0.00008023997,0.000069624875,0.00014749194,0.00019180567,0.00011034391,0.00013760109,0.0001120398,0.00021321114,0.00018895035],"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":[0.0003552122,0.00008055896,0.00046276097,0.00025869918,0.000011817499,0.00017586166,0.00006554471,0.0007789281,0.9898817,0.0002423262,0.00012352072,0.007563031],"study_design_scores_gemma":[0.00005864469,0.0039631864,0.0045894827,0.000024975578,0.000054586442,0.00051512016,0.00005790511,0.0007713579,0.9816065,0.00007290012,0.008271521,0.000013891422],"about_ca_topic_score_codex":0.0004993594,"about_ca_topic_score_gemma":0.0011126678,"teacher_disagreement_score":0.0012258039,"about_ca_system_score_codex":0.0001278044,"about_ca_system_score_gemma":0.00016145033,"threshold_uncertainty_score":0.0041006804},"labels":[],"label_agreement":null},{"id":"W2924765283","doi":"10.2174/1573406415666190319101329","title":"Novel Amide Derivatives as Potent Tyrosinase Inhibitors; In-vitro, In-vivo Antimelanogenic Activity and Computational Studies","year":2019,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"melanin and skin pigmentation","field":"Biochemistry, Genetics and Molecular Biology","cited_by":16,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Laurentian University","funders":"National Research Foundation of Korea","keywords":"Tyrosinase; Kojic acid; Melanin; Chemistry; In vivo; Biochemistry; Arbutin; In vitro; Docking (animal); IC50; Enzyme; Stereochemistry; Biology","score_opus":0.011097871317429049,"score_gpt":0.27544955864569626,"score_spread":0.2643516873282672,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2924765283","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":[0.8560564,0.05498433,0.05301101,0.0008593125,0.00028018188,0.0003421698,0.004825283,0.0010916123,0.028549649],"genre_scores_gemma":[0.93922216,0.013781136,0.038359962,0.00025128605,0.00006289135,0.00024221273,0.002758332,0.00009381325,0.0052281134],"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99993384,0.000014911283,0.0000036421955,0.000015432126,0.000018064504,0.0000139496115],"domain_scores_gemma":[0.9999175,0.000032400392,0.000020034251,0.0000045609354,0.000014960823,0.000010520474],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00026134052,0.00089112,0.001165268,0.00039409462,0.00024210285,0.00066282216,0.000576924,0.0005258371,0.0034987757],"category_scores_gemma":[0.00031058386,0.00024317186,0.0010475582,0.00043827196,0.00014940284,0.000385545,0.0002847334,0.00053256017,0.0005507699],"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":[0.0013580198,0.0009871427,0.0041003255,0.0041260947,0.00065526075,0.0015738251,0.00007577045,0.82425684,0.085265145,0.00578604,0.0054771774,0.06633832],"study_design_scores_gemma":[0.00042915385,0.003105697,0.0018164188,0.00013538502,0.00062613643,0.0005018147,0.000109361084,0.93886673,0.030293021,0.0018106803,0.022229183,0.000076419194],"about_ca_topic_score_codex":0.0024732088,"about_ca_topic_score_gemma":0.0037450753,"teacher_disagreement_score":0.0034987757,"about_ca_system_score_codex":0.0003787332,"about_ca_system_score_gemma":0.000395578,"threshold_uncertainty_score":0.0117045045},"labels":[],"label_agreement":null},{"id":"W2950192587","doi":"10.2174/1573406415666190614095821","title":"Highly Potent and Selective Ectonucleoside Triphosphate Diphosphohydrolase (ENTPDase1, 2, 3 and 8) Inhibitors Having 2-substituted-7- trifluoromethyl-thiadiazolopyrimidones Scaffold","year":2020,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Adenosine and Purinergic Signaling","field":"Biochemistry, Genetics and Molecular Biology","cited_by":6,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Université Laval","funders":"Higher Education Commision, Pakistan; Crohn's and Colitis Canada","keywords":"Nucleoside; Nucleotide; Nucleoside triphosphate; Biochemistry; Chemistry; Extracellular; Nucleoside-diphosphate kinase; IC50; Adenosine triphosphate; Enzyme; In vitro","score_opus":0.007962769240274357,"score_gpt":0.2104557478857081,"score_spread":0.20249297864543372,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2950192587","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":[0.930047,0.04521183,0.010258859,0.00035805893,0.0002534517,0.0003267556,0.0015423174,0.000360013,0.011641795],"genre_scores_gemma":[0.9703655,0.01480452,0.00644575,0.00016630538,0.000029896522,0.0001561109,0.0014020267,0.000016663122,0.006613317],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999368,0.0000099466515,0.0000048706925,0.000014720118,0.000013776357,0.000019853283],"domain_scores_gemma":[0.999959,0.0000065683266,0.000011927848,0.000003482515,0.000008166234,0.000010777907],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00012265657,0.0005704174,0.0003311697,0.00024405544,0.000109321925,0.00016725325,0.00035230172,0.0002836388,0.0012540137],"category_scores_gemma":[0.00010030925,0.00012845034,0.00019415372,0.00020241951,0.00014229977,0.00017759217,0.00014797879,0.00050880766,0.00033069772],"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":[0.0007051141,0.0002079929,0.00028382608,0.00039719144,0.000028556577,0.00029736295,0.000038872106,0.00082245766,0.97939634,0.00038639663,0.00082557194,0.01661026],"study_design_scores_gemma":[0.0005314834,0.0045327153,0.0043854658,0.000055269793,0.0001130013,0.001419837,0.000039776776,0.0017036175,0.9578223,0.00010975329,0.029253222,0.000033507225],"about_ca_topic_score_codex":0.0008731688,"about_ca_topic_score_gemma":0.0022569892,"teacher_disagreement_score":0.0012540137,"about_ca_system_score_codex":0.00027097578,"about_ca_system_score_gemma":0.0002253089,"threshold_uncertainty_score":0.004195094},"labels":[],"label_agreement":null},{"id":"W3088104678","doi":"10.2174/1573406416666200925141703","title":"Identification and Expression Analysis of CD73 Inhibitors in Cervical Cancer","year":2020,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Adenosine and Purinergic Signaling","field":"Biochemistry, Genetics and Molecular Biology","cited_by":3,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Université Laval","funders":"Natural Sciences and Engineering Research Council of Canada; Higher Education Commision, Pakistan; Crohn's and Colitis Canada","keywords":"HeLa; Cytotoxicity; Cytotoxic T cell; MTT assay; Cell culture; Molecular biology; Western blot; Nucleotidase; Adenosine; Enzyme; Chemistry; Adenosine monophosphate; Dephosphorylation; Apoptosis; Cell; Biochemistry; Biology; Phosphatase; In vitro; Gene","score_opus":0.010062536177631769,"score_gpt":0.26412328890822706,"score_spread":0.2540607527305953,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W3088104678","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":[0.9690832,0.02318464,0.002917779,0.00024890044,0.00004548702,0.00013675008,0.0005405353,0.00009000498,0.003752719],"genre_scores_gemma":[0.9749145,0.014650489,0.005464718,0.00013343798,0.00003279329,0.00010385631,0.00084648124,0.000014151241,0.003839627],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999341,0.00000863914,0.0000045871666,0.000011798736,0.000024032375,0.000016813903],"domain_scores_gemma":[0.99995196,0.0000067284304,0.000013329676,0.0000035010453,0.000016476852,0.0000079936535],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008628084,0.00024107896,0.00022929674,0.0003380123,0.00018233183,0.00014736824,0.00013536077,0.00018632771,0.0008895671],"category_scores_gemma":[0.0000939399,0.00008486185,0.00019000162,0.0002599531,0.000105130006,0.00010782579,0.000089329056,0.00023157377,0.00016897405],"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":[0.00015689932,0.000039905462,0.00036004477,0.00014719913,0.000009373601,0.00007878806,0.000014630867,0.00011459584,0.9905923,0.00006587404,0.00010501124,0.008315412],"study_design_scores_gemma":[0.000024431543,0.001043043,0.004007004,0.000016494107,0.000052488045,0.000412619,0.00003164379,0.0005087503,0.98768926,0.000029650457,0.006179542,0.0000049057976],"about_ca_topic_score_codex":0.0012132545,"about_ca_topic_score_gemma":0.0024832922,"teacher_disagreement_score":0.0012132545,"about_ca_system_score_codex":0.00033106707,"about_ca_system_score_gemma":0.00029428242,"threshold_uncertainty_score":0.002975881},"labels":[],"label_agreement":null},{"id":"W4220877871","doi":"10.2174/1573406418666220322154110","title":"1-[4-(2-Dimethylaminoethoxy)phenylcarbonyl]-3,5-Bis(3,4,5-Trimethoxybenzylidene)-4-Piperidone Hydrochloride and Related Compounds: PotentCytotoxins Demonstrate Greater Toxicity to Neoplasms than Non-Malignant Cells","year":2022,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Synthesis and biological activity","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":"University of Saskatchewan","funders":"Mitacs","keywords":"Cytotoxicity; Toxicity; Chemistry; Potency; Apoptosis; Pharmacology; Doxorubicin; Chemotherapy; Stereochemistry; Cancer research; Toxicology; In vitro; Medicine; Biology; Biochemistry; Internal medicine; Organic chemistry","score_opus":0.011484544787872893,"score_gpt":0.21598486771695105,"score_spread":0.20450032292907816,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W4220877871","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":[0.97259176,0.012801904,0.009110854,0.000177743,0.000055009572,0.00008655261,0.00038924965,0.00010028182,0.0046867603],"genre_scores_gemma":[0.9855752,0.005413717,0.006015,0.000070889524,0.000020551013,0.000053643278,0.0004209925,0.000009092908,0.002420917],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999076,0.0000217326,0.000007990144,0.000017278027,0.000030503918,0.000014853908],"domain_scores_gemma":[0.9999107,0.000018571569,0.000043668777,0.000007930257,0.000010236222,0.000008917792],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00013305906,0.00028442708,0.00019544963,0.00012178378,0.00008087388,0.000100237434,0.00015916029,0.0001641543,0.0014092422],"category_scores_gemma":[0.00012412826,0.000090193134,0.00016925817,0.00013381256,0.00013744438,0.00015777079,0.00011196366,0.00037374877,0.0004185945],"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":[0.00016379262,0.00009881713,0.0003330762,0.00023599366,0.000010651304,0.00006823941,0.000010786935,0.00077064655,0.9899637,0.00015909215,0.00009241283,0.008092819],"study_design_scores_gemma":[0.0000891517,0.0046950043,0.0066493787,0.00003185782,0.000041476756,0.00058365724,0.000021558073,0.002524042,0.97722214,0.0000806843,0.008046316,0.0000147370965],"about_ca_topic_score_codex":0.0002816345,"about_ca_topic_score_gemma":0.0006803611,"teacher_disagreement_score":0.0014092422,"about_ca_system_score_codex":0.000115671995,"about_ca_system_score_gemma":0.00018075127,"threshold_uncertainty_score":0.00471437},"labels":[],"label_agreement":null},{"id":"W4392365481","doi":"10.2174/0115734064271581231219111952","title":"Biochemical and In Silico Studies on Triazole Derivatives as TyrosinaseInhibitors: Potential Treatment of Hyperpigmentation Related SkinDisorders","year":2024,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"melanin and skin pigmentation","field":"Biochemistry, Genetics and Molecular Biology","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":"Artificial Intelligence in Medicine (Canada)","funders":"Higher Education Commission, Pakistan","keywords":"Tyrosinase; Kojic acid; Chemistry; Hyperpigmentation; Melanin; Enzyme; Docking (animal); IC50; Stereochemistry; Biochemistry; Active site; Melasma; In vitro; Biology","score_opus":0.011829348701824378,"score_gpt":0.304447585426982,"score_spread":0.29261823672515763,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W4392365481","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":[0.9438491,0.028375434,0.011781073,0.00064594246,0.00012439335,0.00026011415,0.0062559764,0.000526588,0.0081813475],"genre_scores_gemma":[0.96856433,0.009571198,0.013676593,0.00014475646,0.000028178196,0.00013992167,0.00520917,0.000053631087,0.0026122604],"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","domain_scores_codex":[0.99978167,0.00005175127,0.000014657212,0.00005234862,0.00005862359,0.000040957486],"domain_scores_gemma":[0.9997203,0.00013321322,0.000062942214,0.000010357044,0.000049452225,0.000023739998],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005302638,0.0010439666,0.0015763832,0.000708581,0.0003246218,0.0008487793,0.0006551904,0.0006068939,0.0040935813],"category_scores_gemma":[0.0007691057,0.0003139832,0.0021850201,0.0007538476,0.00017921565,0.00033518678,0.00027962093,0.00055294647,0.000638658],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0034176898,0.0026667481,0.029758545,0.007811242,0.0018411349,0.002470197,0.00013794651,0.68429893,0.20266165,0.0026610347,0.004756403,0.05751846],"study_design_scores_gemma":[0.0004582182,0.00840594,0.0166161,0.00031973366,0.0026824127,0.0014750465,0.0002350909,0.8498011,0.09873238,0.0013140497,0.019798249,0.00016171328],"about_ca_topic_score_codex":0.0043810843,"about_ca_topic_score_gemma":0.007351402,"teacher_disagreement_score":0.0043810843,"about_ca_system_score_codex":0.00059192383,"about_ca_system_score_gemma":0.00080460677,"threshold_uncertainty_score":0.013694406},"labels":[],"label_agreement":null},{"id":"W4399095793","doi":"10.2174/0115734064304100240511112619","title":"In Silico Discovery and Predictive Modeling of Novel Acetylcholinesterase (AChE) Inhibitors for Alzheimer's Treatment","year":2024,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Cholinesterase and Neurodegenerative Diseases","field":"Medicine","cited_by":8,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Memorial University of Newfoundland","funders":"King Saud University","keywords":"Galantamine; Donepezil; Memantine; Acetylcholinesterase; Rivastigmine; Ligand (biochemistry); Chemistry; Pharmacology; Enzyme; Medicine; Receptor; Disease; Dementia; Biochemistry; Internal medicine; NMDA receptor","score_opus":0.04671790739302545,"score_gpt":0.3362745843194811,"score_spread":0.28955667692645565,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W4399095793","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":[0.83824974,0.0031376136,0.11693227,0.0020106768,0.00023312062,0.00025141815,0.0026073873,0.0009781027,0.0355996],"genre_scores_gemma":[0.96903,0.0005811207,0.026622694,0.00017518371,0.000030149828,0.00018729446,0.00091737154,0.000048484377,0.0024076959],"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","domain_scores_codex":[0.9998977,0.000040745734,0.0000048854768,0.000012037055,0.000024759327,0.000019755224],"domain_scores_gemma":[0.99952054,0.0003527988,0.000039430943,0.000012002454,0.000047530557,0.000027683614],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004141787,0.0007062989,0.0009428836,0.00067774206,0.00040824251,0.00088777195,0.0008439167,0.0010997746,0.0026155035],"category_scores_gemma":[0.001192438,0.00044389092,0.0008084733,0.00045493757,0.0003390504,0.00031412006,0.00040149345,0.00055600196,0.0002591822],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.000052435495,0.000041896943,0.00080817443,0.00003905072,0.000027294023,0.00005377494,0.000007861833,0.9960062,0.0002817412,0.00077782595,0.00027762298,0.0016262081],"study_design_scores_gemma":[0.00001056581,0.000016343185,0.000075834134,0.0000043186064,0.000007150807,0.0000050345047,0.000006010906,0.9993512,0.00011497063,0.00025851795,0.00014893581,0.0000011703813],"about_ca_topic_score_codex":0.010648159,"about_ca_topic_score_gemma":0.010493254,"teacher_disagreement_score":0.010648159,"about_ca_system_score_codex":0.00068596576,"about_ca_system_score_gemma":0.001443861,"threshold_uncertainty_score":0.021172345},"labels":[],"label_agreement":null},{"id":"W4406400543","doi":"10.2174/0115734064310145240822060730","title":"An Integrative Computational Approach for the Identification of C-Abl Kinase Inhibitors from Anti-Parkinson Plant-Derived Bioactive","year":2025,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Parkinson's Disease Mechanisms and Treatments","field":"Medicine","cited_by":2,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Université Laval","funders":"","keywords":"Nilotinib; Dasatinib; Kinase; Docking (animal); Kinome; Pharmacology; Parkinson's disease; Chemistry; In silico; Tyrosine kinase; Biochemistry; Biology; Medicine; Signal transduction; Disease","score_opus":0.01263559118799483,"score_gpt":0.2803892550663238,"score_spread":0.26775366387832894,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W4406400543","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":[0.5673674,0.007739284,0.3600677,0.002537207,0.0004392802,0.0008952381,0.0102084335,0.0070174453,0.043728113],"genre_scores_gemma":[0.7640687,0.0020919375,0.21846184,0.00057565107,0.000088958346,0.001135149,0.008130327,0.00038151199,0.0050659007],"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","domain_scores_codex":[0.99985075,0.000044449072,0.000010207943,0.00002574444,0.000037959602,0.000030837637],"domain_scores_gemma":[0.99968445,0.00019596849,0.000024907637,0.000013662284,0.000051656407,0.000029385084],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005454432,0.0014875366,0.0015092804,0.0013213715,0.00057959434,0.0011523295,0.0013641262,0.0013599227,0.004795654],"category_scores_gemma":[0.0011933492,0.0005891212,0.0017831628,0.0009172541,0.00028346767,0.000484347,0.00074300193,0.0008775995,0.0005667536],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0002910176,0.000279346,0.0027649174,0.00042362176,0.00038110436,0.0003147965,0.00005264105,0.968631,0.0022559487,0.0041079572,0.0025970852,0.017900655],"study_design_scores_gemma":[0.000050489758,0.00006251622,0.00021138942,0.000013765758,0.00007174276,0.000027468639,0.00002462172,0.9966912,0.00034198628,0.0012821906,0.0012170358,0.0000054851057],"about_ca_topic_score_codex":0.009862406,"about_ca_topic_score_gemma":0.014180783,"teacher_disagreement_score":0.009862406,"about_ca_system_score_codex":0.00074309047,"about_ca_system_score_gemma":0.001996728,"threshold_uncertainty_score":0.019609988},"labels":[],"label_agreement":null}]}