{"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.99501437,0.00034447038,0.000024660543,0.0009765485,0.000055563196,0.00013118319,0.000006919306,0.00006707642,0.0033791806],"genre_scores_gemma":[0.9988346,0.00019149666,0.00028805938,0.00021068302,0.00033477208,0.000006990047,0.000010635036,0.000028439668,0.00009430542],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9985708,0.000063440755,0.0003620103,0.00044141704,0.0002836453,0.00027868003],"domain_scores_gemma":[0.998667,0.0004362604,0.00015975203,0.00038784777,0.000057013207,0.0002921188],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005011985,0.00026368233,0.00072901696,0.00005929864,0.00008837941,0.000020070604,0.00014712388,0.00020285345,0.00028696776],"category_scores_gemma":[0.0006522731,0.00021728163,0.000060436807,0.0000691273,0.00088401866,0.000087714994,0.00012138611,0.0002424161,0.000003840358],"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":[0.00022163524,0.00015831133,0.04310444,0.00046631627,0.00008061251,0.00004181596,0.00015641472,6.88011e-8,0.9522285,0.00003123172,0.00015613141,0.003354543],"study_design_scores_gemma":[0.0012475036,0.00020061411,0.040122133,0.00045854299,0.00017240399,0.0019100317,0.0006296286,0.00008986079,0.953888,0.000058470203,0.0009842914,0.00023854828],"about_ca_topic_score_codex":0.000043752072,"about_ca_topic_score_gemma":0.0000017356244,"teacher_disagreement_score":0.0038202207,"about_ca_system_score_codex":0.00003391662,"about_ca_system_score_gemma":0.00007203095,"threshold_uncertainty_score":0.8860488},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.99817,0.0008605406,0.000016615108,0.00015229321,0.00027093524,0.00015383694,0.000016488555,0.000027815799,0.0003314792],"genre_scores_gemma":[0.99878657,0.00019140211,0.000015264768,0.000007671258,0.00013141161,0.000020808035,0.000017041415,0.0000058196047,0.00082401675],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9989754,0.00015976392,0.0001830684,0.000336334,0.00007812753,0.0002673123],"domain_scores_gemma":[0.9992047,0.00029680633,0.00009941804,0.00030043628,0.00007140877,0.00002723102],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00028789768,0.0001530662,0.00025907787,0.000021994556,0.00022384449,0.000004838194,0.00022119521,0.00015298242,0.0005526676],"category_scores_gemma":[0.00065931474,0.000087897286,0.00006075865,0.00010434335,0.0017111583,0.000058412385,0.000119710225,0.00051065884,0.000012182849],"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":[0.00020317631,0.00010920045,0.009042866,0.000027912154,0.00005260641,0.000005733003,0.00017751339,2.984394e-7,0.9897796,0.000007683397,0.000046616624,0.00054679596],"study_design_scores_gemma":[0.00032321754,0.00010292848,0.090193205,0.00001790616,0.000009685716,0.0005318983,0.0000632589,0.000001696821,0.90725964,0.000014413973,0.001398807,0.00008332823],"about_ca_topic_score_codex":0.000090920665,"about_ca_topic_score_gemma":0.0000016700983,"teacher_disagreement_score":0.08251994,"about_ca_system_score_codex":0.00004032862,"about_ca_system_score_gemma":0.00008421261,"threshold_uncertainty_score":0.6304834},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.7623566,0.0037659293,0.2327029,0.00046934292,0.000022979804,0.00027715034,0.00018005364,0.000042024505,0.00018301759],"genre_scores_gemma":[0.99822295,0.00003451144,0.0007518527,0.00042690683,0.0001315006,0.00003137581,0.00019505774,0.000027047527,0.00017879208],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99887776,0.000008484196,0.00032230554,0.0003081436,0.00025375994,0.00022956643],"domain_scores_gemma":[0.99901986,0.000075730415,0.00014276116,0.00034143092,0.00015363566,0.00026656862],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00020236363,0.00016082302,0.00037191279,0.00008375092,0.000065418906,0.000007675371,0.00008107534,0.00009951852,0.00009503013],"category_scores_gemma":[0.000074433665,0.00013990571,0.0001576456,0.00025623757,0.00006754337,0.00002721585,0.000018109038,0.00012507604,2.9402455e-7],"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":[0.0007991096,0.000095556206,0.0019192518,0.00018294246,0.00069908355,0.0000089149435,0.00006228296,0.00085565745,0.98482615,0.00006635178,0.00030090893,0.0101837935],"study_design_scores_gemma":[0.0038215374,0.00017708515,0.037308957,0.00007830496,0.014459947,0.000041855208,0.00044408542,0.0391531,0.90347415,0.0006326735,0.00011259048,0.00029569003],"about_ca_topic_score_codex":0.000069170135,"about_ca_topic_score_gemma":0.000020076634,"teacher_disagreement_score":0.23586635,"about_ca_system_score_codex":0.000051392097,"about_ca_system_score_gemma":0.000113927694,"threshold_uncertainty_score":0.5705189},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9759239,0.0027458968,0.0024347783,0.00077067525,0.00033028962,0.00016585327,0.000008626445,0.000105632826,0.017514352],"genre_scores_gemma":[0.99173576,0.00019892206,0.0025658982,0.00023861982,0.0007011483,0.000006230532,0.000006561304,0.000033811117,0.004513054],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9984387,0.000044221168,0.00047963124,0.00032606247,0.00027255845,0.00043883696],"domain_scores_gemma":[0.99785644,0.0011663701,0.00018235495,0.0002466071,0.00007241799,0.0004758155],"candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0012596693,0.00025292262,0.00037673954,0.000032729535,0.00007977877,0.0000051987918,0.00029606972,0.0004724564,0.00244781],"category_scores_gemma":[0.0005834386,0.00024615353,0.000059852242,0.00019477202,0.0003477697,0.000040511033,0.000105637606,0.00072327576,0.000018961282],"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":[0.00036810903,0.00013481433,0.0025853398,0.00029049558,0.00012350065,0.00013343256,0.00029119686,0.000031106807,0.9706722,0.000020273355,0.007001615,0.018347923],"study_design_scores_gemma":[0.0012590977,0.000037758375,0.00027893615,0.000055496774,0.00019991699,0.00030893215,0.0002089228,0.00025522735,0.98153174,0.00013020197,0.015519384,0.00021437606],"about_ca_topic_score_codex":0.000019469195,"about_ca_topic_score_gemma":5.067352e-7,"teacher_disagreement_score":0.018133547,"about_ca_system_score_codex":0.00008430336,"about_ca_system_score_gemma":0.00019233736,"threshold_uncertainty_score":0.99999905},"labels":[],"label_agreement":null},{"id":"W2041258384","doi":"10.2174/157340609787582945","title":"Synthesis and Hypoxia Selective Radiosensitization Potential of &amp;#946;-2-FAZA and &amp;#946;-3-FAZL: Fluorinated Azomycin &amp;#946;-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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9874032,0.009190861,0.0011784369,0.0003910334,0.00028880834,0.00023099338,0.00006505194,0.000046443776,0.0012051621],"genre_scores_gemma":[0.99123687,0.0035539756,0.001752632,0.00024147956,0.0016550863,0.000016578984,0.00025213827,0.00004745319,0.0012437911],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9977415,0.000085764936,0.00050601875,0.00077992387,0.00039354904,0.0004932261],"domain_scores_gemma":[0.99855906,0.00005757201,0.00026247549,0.00050691486,0.00029962146,0.00031433263],"candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.00035830232,0.00044362163,0.0006056709,0.000083232466,0.00016656039,0.000038009937,0.00019412619,0.0004390985,0.000071655304],"category_scores_gemma":[0.000578919,0.00044138182,0.00013330956,0.00023250804,0.00036566667,0.000018155652,0.000094164454,0.00029040975,0.000004101078],"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":[0.00039165828,0.000095898096,0.0003506717,0.00016765369,0.00012774729,0.0000042886927,0.00022704709,0.000019080018,0.98293936,0.000011376453,0.002973514,0.012691718],"study_design_scores_gemma":[0.0015643933,0.00015372127,0.012059845,0.00016751407,0.00039915423,0.00058969774,0.00017209914,0.000028733015,0.92079914,0.00019700568,0.06327392,0.00059478724],"about_ca_topic_score_codex":0.00010075468,"about_ca_topic_score_gemma":0.000049403,"teacher_disagreement_score":0.062140215,"about_ca_system_score_codex":0.000041535826,"about_ca_system_score_gemma":0.00015654611,"threshold_uncertainty_score":0.9998038},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.99180466,0.000039150655,0.0000022476838,0.00047991844,0.00005238834,0.000058459096,0.0000034043205,0.000021851043,0.0075379224],"genre_scores_gemma":[0.9989671,0.00002932815,0.0000037885052,0.00025942875,0.000028400256,0.0000060352977,7.449333e-7,0.0000050034937,0.00070016005],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99933994,0.000018105,0.00012043924,0.00017154681,0.00022794213,0.000122020014],"domain_scores_gemma":[0.99963427,0.000052150317,0.00006894243,0.00019544619,0.000010157516,0.000039051767],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000018013145,0.00007297766,0.00009102592,0.000005693659,0.00012682567,0.0000018370681,0.00018374698,0.00003566934,0.00010839044],"category_scores_gemma":[0.00020021762,0.000045075976,0.00004617704,0.00011749651,0.0002206331,0.000023516326,0.00004377918,0.000110767185,0.000008375286],"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":[0.000042743926,0.00009138689,0.012943821,0.000023830838,0.000001565199,0.00003551695,0.00005536256,0.000005759307,0.98661387,0.000012555536,0.00006218841,0.00011137538],"study_design_scores_gemma":[0.00059661316,0.000026444955,0.06021066,0.000009833369,0.0000068752415,0.00012383811,0.000012584969,0.00003536348,0.9384987,0.0003544833,0.000083128674,0.000041478666],"about_ca_topic_score_codex":0.000006722288,"about_ca_topic_score_gemma":2.0403472e-7,"teacher_disagreement_score":0.048115198,"about_ca_system_score_codex":0.000014131688,"about_ca_system_score_gemma":0.00001760516,"threshold_uncertainty_score":0.1838145},"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":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"codex-gemma-dda1882f352a","genre_candidate":"methods","genre_consensus":null,"domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.023925463,0.00083019736,0.9682087,0.0012884556,0.0002261744,0.00012640044,0.0000021327185,0.00011611635,0.0052763685],"genre_scores_gemma":[0.6941911,0.0000019353843,0.30392137,0.00016183771,0.00037706806,0.000023000568,0.000013975941,0.000012008858,0.0012976998],"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","domain_scores_codex":[0.9978822,0.0003010604,0.00038580297,0.00051728,0.0005742943,0.00033938145],"domain_scores_gemma":[0.9986453,0.0006779058,0.00012246212,0.0003853476,0.00007501198,0.0000939812],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0013788902,0.0001981599,0.00025187997,0.0000727259,0.00007151169,0.000052244373,0.0007033455,0.00005973449,0.000054713957],"category_scores_gemma":[0.00013499796,0.00019482846,0.00006656015,0.00058380136,0.00008604876,0.00028673976,0.00016119028,0.00031491497,0.000015082754],"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":[0.00015969877,0.0010164626,0.0038366695,0.0004010618,0.0000783157,0.0006988989,0.005505977,0.6493904,0.14299533,0.058374375,0.0588112,0.078731626],"study_design_scores_gemma":[0.0016357756,0.000023664556,0.011124765,0.00017428082,0.000020191406,0.00019289626,0.00019373922,0.6635998,0.23766543,0.08218564,0.002576907,0.0006069294],"about_ca_topic_score_codex":0.0005412955,"about_ca_topic_score_gemma":0.000008300814,"teacher_disagreement_score":0.6702656,"about_ca_system_score_codex":0.00026945074,"about_ca_system_score_gemma":0.00026603066,"threshold_uncertainty_score":0.7944874},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9971036,0.0002843861,0.000038116137,0.002046332,0.000019513518,0.00007679276,0.000010060643,0.0000041490543,0.00041704933],"genre_scores_gemma":[0.99914014,0.00003276732,0.00009653778,0.00027228583,0.0003213786,0.000015771762,0.000054408116,0.0000104522305,0.000056268418],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99920064,0.00006275751,0.0002179783,0.0001966243,0.00021889705,0.000103104576],"domain_scores_gemma":[0.9991387,0.00022050788,0.00023432299,0.00029189585,0.000062581916,0.000051995823],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002066672,0.00013605584,0.00017613579,0.000010071304,0.000043501914,0.000007336738,0.0001736369,0.00009622261,0.000069632035],"category_scores_gemma":[0.00016371175,0.00006963534,0.00009098907,0.0001355137,0.00021377321,0.000003512604,0.000032026463,0.00013396339,0.0000015302478],"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":[0.000114320945,0.000025351923,0.00074221735,0.000043850076,0.000105081555,5.685748e-7,0.0000745977,0.000014153462,0.9967816,0.000001656249,0.0005484131,0.0015482082],"study_design_scores_gemma":[0.00018720818,0.000082957864,0.000600623,0.00014159134,0.00012676223,0.0000015149043,0.00037284862,0.00008903133,0.9975633,0.0000101971655,0.00074486586,0.00007911936],"about_ca_topic_score_codex":0.00005955768,"about_ca_topic_score_gemma":0.000012715043,"teacher_disagreement_score":0.0020365294,"about_ca_system_score_codex":0.000015563028,"about_ca_system_score_gemma":0.000034721095,"threshold_uncertainty_score":0.28396466},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9850512,0.0009307749,0.007574219,0.0010503397,0.0007953059,0.0010713515,0.00006280535,0.000322096,0.0031418898],"genre_scores_gemma":[0.98534346,0.000026537926,0.0057650562,0.0040708105,0.0019333672,0.00031442128,0.00022803973,0.00015050144,0.0021677972],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99632955,0.00007614026,0.0006806807,0.0012601963,0.00088700285,0.0007664161],"domain_scores_gemma":[0.99729073,0.00009409656,0.00018771665,0.0011441984,0.0003449995,0.0009382731],"candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.00039966562,0.00073293265,0.00083734526,0.00017822876,0.00021187242,0.00006836802,0.00038918137,0.0003660086,0.00019529017],"category_scores_gemma":[0.0006295958,0.0006197121,0.00034269897,0.0006741198,0.00026410227,0.0001386634,0.00013930674,0.0016571773,0.000052004954],"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":[0.0005078395,0.0012253216,0.0027908082,0.0003638612,0.00012364394,0.0000762799,0.00035491853,0.000018286713,0.99227875,0.000006266518,0.00021674839,0.002037294],"study_design_scores_gemma":[0.004643292,0.00032155207,0.016820008,0.00013546523,0.00043938952,0.00079618144,0.00022768373,0.003078656,0.96496326,0.000012267666,0.007857654,0.0007045774],"about_ca_topic_score_codex":0.00006066199,"about_ca_topic_score_gemma":0.000006050628,"teacher_disagreement_score":0.027315458,"about_ca_system_score_codex":0.0000907526,"about_ca_system_score_gemma":0.00032063204,"threshold_uncertainty_score":0.99962544},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.98812884,0.00082397985,0.000047934704,0.0010269344,0.00012592618,0.00018020486,0.0000040961245,0.000052519383,0.009609588],"genre_scores_gemma":[0.9841562,0.000038226855,0.00015474956,0.000079895435,0.00038441067,0.000025456817,0.00010106219,0.00002285205,0.015037128],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99864817,0.000015089261,0.00042432756,0.00021175995,0.0003850163,0.00031566405],"domain_scores_gemma":[0.9991087,0.00003438873,0.00015658115,0.00030939936,0.00009992805,0.00029105417],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00030247748,0.00018362585,0.00028839518,0.000052075662,0.00004645093,0.00000558433,0.00008673278,0.000110351255,0.0005280432],"category_scores_gemma":[0.0001812547,0.00015337161,0.00009719868,0.0002043712,0.000112999405,0.000056078912,0.000037710466,0.00017355371,0.00015761495],"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":[0.00014771995,0.0006537408,0.08295744,0.00052833935,0.00017779547,0.00006864073,0.0013844414,3.928126e-7,0.9098359,0.00003287491,0.0024549724,0.0017577509],"study_design_scores_gemma":[0.0013289283,0.00004482682,0.00813666,0.00019128608,0.00023782752,0.000118750555,0.0005270985,0.000019820962,0.9871947,0.000016708347,0.0020495038,0.00013389908],"about_ca_topic_score_codex":0.000011479875,"about_ca_topic_score_gemma":5.548529e-7,"teacher_disagreement_score":0.0773588,"about_ca_system_score_codex":0.00013792486,"about_ca_system_score_gemma":0.00015382083,"threshold_uncertainty_score":0.6254313},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9936849,0.0041482,0.0000039476263,0.00062070694,0.00006920048,0.00007531226,0.00012741241,0.000058953996,0.0012113998],"genre_scores_gemma":[0.99689,0.0018207517,0.0001553992,0.00003726143,0.0007759936,0.000045619592,0.000033742075,0.000018923027,0.00022232387],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99785215,0.00005770652,0.00063153915,0.0006863157,0.00029090836,0.00048141278],"domain_scores_gemma":[0.9981725,0.0010615102,0.00029544867,0.00027810634,0.00006651729,0.00012587784],"candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.00038470665,0.00045647152,0.0011801218,0.00006301547,0.00009813191,0.000040317984,0.00020396172,0.00038950692,0.00017126004],"category_scores_gemma":[0.00091538706,0.0003201954,0.00010919372,0.00015361991,0.0009831236,0.00014975147,0.0001940152,0.0003564635,6.204626e-7],"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":[0.00048587527,0.00033255434,0.01768872,0.00059497124,0.000087171175,0.000090871246,0.00004586603,4.6981802e-7,0.97756994,0.000021483434,0.0001023231,0.0029797752],"study_design_scores_gemma":[0.0007516308,0.000054432123,0.014496877,0.00020183885,0.00007989837,0.00014911847,0.00057917373,0.000016118434,0.9819298,0.00058566703,0.0007992198,0.00035624177],"about_ca_topic_score_codex":0.0002445555,"about_ca_topic_score_gemma":0.000012981684,"teacher_disagreement_score":0.004359864,"about_ca_system_score_codex":0.00008249065,"about_ca_system_score_gemma":0.000036163903,"threshold_uncertainty_score":0.999925},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.99579525,0.0015490127,0.000036410853,0.00075550034,0.00013888133,0.00048740278,0.000036313286,0.000048690406,0.0011525125],"genre_scores_gemma":[0.99627554,0.0003389967,0.00022516682,0.00054324133,0.00010155369,0.000059001704,0.000132617,0.00003270959,0.0022911972],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9983999,0.000031726293,0.00035198694,0.000366177,0.00046430618,0.00038586085],"domain_scores_gemma":[0.9988851,0.000147973,0.00015788131,0.00026780716,0.000094580624,0.00044663317],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00015404145,0.00027635114,0.00053156493,0.00004343867,0.0000569536,0.000007771611,0.00007257363,0.00020530472,0.00034885775],"category_scores_gemma":[0.00010950356,0.00021281402,0.00007944936,0.00015915064,0.00018341279,0.000049776874,0.000031590967,0.00031000414,0.00003855534],"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":[0.00031667098,0.00030768645,0.0032381758,0.0012953203,0.00009807279,0.00007527009,0.00010337571,1.6602046e-7,0.9838027,0.000004603596,0.0022388867,0.008519075],"study_design_scores_gemma":[0.00448086,0.0008930353,0.017924951,0.00032675688,0.00027890998,0.000051316772,0.000041669904,0.000060741302,0.9742856,0.000099774545,0.0014073364,0.00014904038],"about_ca_topic_score_codex":0.0011147549,"about_ca_topic_score_gemma":0.0000013687975,"teacher_disagreement_score":0.014686776,"about_ca_system_score_codex":0.000105211526,"about_ca_system_score_gemma":0.00010247952,"threshold_uncertainty_score":0.86783034},"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":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":null,"domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.26012835,0.00003513864,0.7388552,0.0006261253,0.000040013878,0.00020008665,0.0000019916533,0.00001483969,0.000098278106],"genre_scores_gemma":[0.95477754,0.0000010378137,0.045045268,0.00001788296,0.00011086739,0.000026708685,0.000001104441,0.000006781819,0.000012838368],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9989538,0.00004606468,0.00024347097,0.00022253355,0.00038794294,0.00014614071],"domain_scores_gemma":[0.99904823,0.00039054078,0.00019536642,0.00019692052,0.00011873984,0.00005021259],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005862678,0.00010933638,0.000158691,0.000036232523,0.00006976431,0.000018345521,0.00030092543,0.000037861922,0.000010901421],"category_scores_gemma":[0.00020175368,0.00007928289,0.00006178942,0.00034912836,0.00018040351,0.0001384349,0.000053045922,0.00012998044,3.9653557e-7],"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":[0.00042342138,0.00025827799,0.0003128669,0.00042301463,0.00009030107,0.0000035772362,0.0009375651,0.0651295,0.87208956,0.009393158,0.00008128097,0.050857436],"study_design_scores_gemma":[0.000098186756,0.00007870772,0.000051572264,0.00007089112,0.000023562903,0.000014282791,0.00020156684,0.21752791,0.7783554,0.0034875672,0.000020332918,0.000069965696],"about_ca_topic_score_codex":0.0000113988535,"about_ca_topic_score_gemma":0.0000014625372,"teacher_disagreement_score":0.69464916,"about_ca_system_score_codex":0.00014487779,"about_ca_system_score_gemma":0.00019679255,"threshold_uncertainty_score":0.32330623},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9953475,0.00006347135,0.00003381232,0.000053218035,0.00004017088,0.000034123586,0.000008920888,0.000017066683,0.004401742],"genre_scores_gemma":[0.9994958,0.00003706425,0.00005686329,0.00012636972,0.00015614051,0.000005585265,1.887006e-7,0.000008755558,0.000113254624],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99938637,0.00001761335,0.00009752642,0.00017584945,0.00012339081,0.00019924123],"domain_scores_gemma":[0.9994114,0.0002839407,0.00007803579,0.00011632973,0.000011277239,0.00009903369],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000056660014,0.00009701139,0.00016795371,0.000010785141,0.00004208757,0.0000033590063,0.00010532548,0.000037856,0.000100368256],"category_scores_gemma":[0.00056778477,0.00007778267,0.000026427357,0.00007130224,0.00028877295,0.00008844355,0.000077001816,0.000110418325,0.000002835427],"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":[0.00003895945,0.0001227336,0.00066195783,0.00011356474,0.0000022973177,0.0000020390212,0.00007625673,1.4513903e-7,0.996564,0.000057307014,0.000031885284,0.0023288862],"study_design_scores_gemma":[0.00013896952,0.000029915716,0.0073149847,0.00003960247,0.000009348745,0.00004301615,0.000040195417,0.000020676538,0.9915409,0.000018130437,0.00073164137,0.000072599985],"about_ca_topic_score_codex":0.00000593117,"about_ca_topic_score_gemma":5.0538112e-8,"teacher_disagreement_score":0.0066530267,"about_ca_system_score_codex":0.0000068712684,"about_ca_system_score_gemma":0.000013263203,"threshold_uncertainty_score":0.31718853},"labels":[],"label_agreement":null},{"id":"W2128468782","doi":"10.2174/157340609788185909","title":"Possible Drug Candidates for Alzheimers Disease Deduced from Studying their Binding Interactions with &amp;#945;7 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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9940509,0.0013896597,0.00011664147,0.0030845643,0.00016734947,0.0004848594,0.00034087725,0.00011220609,0.00025292605],"genre_scores_gemma":[0.9922531,0.00009324512,0.00055646984,0.0013402856,0.0013871627,0.000079188445,0.0021025764,0.000042866937,0.0021450815],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99837136,0.000027086491,0.00035344705,0.0005799487,0.00029827812,0.000369889],"domain_scores_gemma":[0.99836326,0.00025450118,0.00015195552,0.00044662753,0.00017372843,0.00060994615],"candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.000103092236,0.000345332,0.00043776055,0.00006499976,0.00020926567,0.00004279024,0.00014471274,0.00004615559,0.00047341365],"category_scores_gemma":[0.00029942396,0.000249594,0.00015985865,0.00022112731,0.00008672823,0.00013694892,0.000025409718,0.00031659668,0.00001900698],"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":[0.0037123892,0.0007299212,0.014849887,0.00013661066,0.00032250612,0.000034725166,0.00094975915,0.000013417301,0.9644933,0.0000010689624,0.0127109755,0.0020454584],"study_design_scores_gemma":[0.0069840364,0.00026063676,0.010073032,0.0015610972,0.0015513217,0.00005894657,0.0021845202,0.00023061878,0.96736234,0.00003221496,0.009117828,0.0005833752],"about_ca_topic_score_codex":0.00003220999,"about_ca_topic_score_gemma":0.000025785966,"teacher_disagreement_score":0.0047768545,"about_ca_system_score_codex":0.0000976941,"about_ca_system_score_gemma":0.00030023127,"threshold_uncertainty_score":0.99999565},"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":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.97762144,0.0021305804,0.007197937,0.0013075932,0.00097281364,0.0004682102,0.000107517524,0.00018090475,0.010013018],"genre_scores_gemma":[0.99520093,0.0000048989377,0.0002878491,0.00041830807,0.00032068853,0.00007742201,0.0002168686,0.000022119175,0.0034509357],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9988422,0.000024223193,0.0002712506,0.00039193674,0.000051037012,0.00041939312],"domain_scores_gemma":[0.99937737,0.00016080056,0.00011252447,0.00025855575,0.000060626582,0.000030151557],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00013009735,0.00023605842,0.0003003345,0.00004187387,0.00021726295,0.000007193593,0.00018261914,0.0003503374,0.00056101737],"category_scores_gemma":[0.00009005832,0.00019317328,0.00011699983,0.0000897968,0.00022533152,0.000012811602,0.00002167358,0.00031780562,0.000015065158],"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":[0.0015887675,0.00023869918,0.0022945805,0.0003426383,0.00008939122,0.000010530055,0.0001106684,0.0057800114,0.93401676,0.00012247778,0.05376431,0.0016411897],"study_design_scores_gemma":[0.006677256,0.00056729355,0.0013860347,0.00013421994,0.00016289552,0.00011864874,0.00008992189,0.0155746145,0.9183302,0.0018603993,0.05452663,0.00057187723],"about_ca_topic_score_codex":0.00011114235,"about_ca_topic_score_gemma":0.000042126183,"teacher_disagreement_score":0.017579485,"about_ca_system_score_codex":0.000087032466,"about_ca_system_score_gemma":0.00011310015,"threshold_uncertainty_score":0.7877378},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9965608,0.000013333599,0.000735289,0.00006113527,0.00008279092,0.00006455063,0.000016212403,0.0000039908155,0.0024618912],"genre_scores_gemma":[0.9989771,0.000004452434,0.000036819918,0.00003290671,0.0003565917,0.000004262302,0.0001559664,0.000007422693,0.00042445128],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9994722,0.000011539305,0.00015879009,0.000131804,0.00014452533,0.00008115715],"domain_scores_gemma":[0.9995576,0.000003937869,0.00014514357,0.00020064542,0.00007339926,0.00001924559],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000035441117,0.00008373095,0.00010429341,0.0000075305006,0.000023086279,0.000002145558,0.00008827175,0.00007554529,0.000026794012],"category_scores_gemma":[0.000014673832,0.00005364795,0.000050009643,0.00009085705,0.00011995709,0.000002880653,0.000026594547,0.00006848966,3.6706405e-7],"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":[0.00010237349,0.000041111736,0.004375167,0.000055548582,0.000013842941,4.5029043e-7,0.000009153255,0.000009424666,0.9949777,0.00001299716,0.000098725985,0.00030347],"study_design_scores_gemma":[0.00029600068,0.00008221097,0.015392346,0.000036194204,0.000024314651,0.00003174191,0.000026759197,0.000019484914,0.9804479,0.000009553217,0.0035796913,0.000053810854],"about_ca_topic_score_codex":0.00002107248,"about_ca_topic_score_gemma":0.000002338654,"teacher_disagreement_score":0.014529843,"about_ca_system_score_codex":0.000010486357,"about_ca_system_score_gemma":0.00004384751,"threshold_uncertainty_score":0.21876998},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9876469,0.00018679058,0.00005012063,0.00021923664,0.000082130464,0.000045084453,0.000037146383,0.000054612185,0.011678011],"genre_scores_gemma":[0.9982429,0.000037929007,0.0006469837,0.000013064919,0.00086078193,0.000008687758,0.000021415874,0.00003733721,0.00013089729],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99752104,0.00002523059,0.0008470964,0.0004071786,0.0007891644,0.0004102872],"domain_scores_gemma":[0.9985293,0.00020541069,0.0004900437,0.0005243924,0.00006957481,0.0001812556],"candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.00026590502,0.00029062916,0.0006295857,0.000053708503,0.00006164119,0.000010742242,0.00053406286,0.00023953202,0.006138596],"category_scores_gemma":[0.00047645226,0.00028668967,0.0002569923,0.00005866238,0.0002976104,0.000095541756,0.00013903157,0.00026183284,0.000027161188],"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":[0.0002992427,0.00029797613,0.0042673815,0.00073256623,0.0001486278,0.000039085433,0.00006452079,0.000097065255,0.98626405,0.0000064646815,0.00010240752,0.00768061],"study_design_scores_gemma":[0.0008781913,0.0000068805407,0.0012243717,0.00045856886,0.0002119079,0.00005960483,0.00016202287,0.0018274735,0.9943708,0.000010494198,0.00055910775,0.00023057188],"about_ca_topic_score_codex":0.00012652078,"about_ca_topic_score_gemma":0.000001418541,"teacher_disagreement_score":0.011547114,"about_ca_system_score_codex":0.00005592181,"about_ca_system_score_gemma":0.000062742125,"threshold_uncertainty_score":0.9999585},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9985583,0.00010903868,0.00014634793,0.00035806696,0.00009615846,0.00010575967,0.0000073230235,0.0000146183365,0.00060439867],"genre_scores_gemma":[0.9995107,0.000061558974,0.000081080776,0.00011095988,0.000024590752,0.000005262241,0.0000011907589,0.0000062403974,0.00019838568],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99900174,0.00007422104,0.0003886319,0.00019446107,0.00024222171,0.000098707635],"domain_scores_gemma":[0.9993501,0.000054909684,0.00027227186,0.00021147162,0.000062741645,0.000048514357],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000063570704,0.00010268706,0.00023151873,0.000022485796,0.000085748885,0.0000032508035,0.00018661685,0.000044185843,0.000043749005],"category_scores_gemma":[0.0003547679,0.000066050816,0.000057104404,0.00014099712,0.0005349189,0.00002705504,0.00006914144,0.00015484441,7.172632e-7],"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":[0.000043521937,0.00009573915,0.0014488775,0.00009656871,0.000002640284,0.000007188046,0.0002661785,0.000012390932,0.9977721,0.0001443352,0.000041895437,0.000068581816],"study_design_scores_gemma":[0.0002459618,0.000060213173,0.0006085839,0.000061403436,0.000009382888,0.00016128614,0.000054856,0.00030312582,0.9981411,0.000025393418,0.000272011,0.00005668744],"about_ca_topic_score_codex":0.0000038724916,"about_ca_topic_score_gemma":7.23226e-7,"teacher_disagreement_score":0.00095244223,"about_ca_system_score_codex":0.000007604986,"about_ca_system_score_gemma":0.00005268437,"threshold_uncertainty_score":0.2693474},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9751023,0.013341753,0.000011838332,0.0051618107,0.00008039797,0.000643928,0.000016438833,0.00005585426,0.005585657],"genre_scores_gemma":[0.992988,0.003220427,0.00017965963,0.00026612228,0.00032533673,0.00027104942,0.000067061155,0.00002401404,0.002658354],"study_design_codex":"design_other","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9980928,0.00006378063,0.0002448398,0.00046087816,0.0007638912,0.00037386734],"domain_scores_gemma":[0.99868965,0.00013194274,0.00009150158,0.00024329631,0.00022566486,0.00061792845],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00045878944,0.0002369954,0.00036727975,0.000043392396,0.00007691127,0.000019904708,0.00009792271,0.00013529467,0.00058378174],"category_scores_gemma":[0.00088338676,0.00016333746,0.000041814237,0.0001769402,0.00031326065,0.000071164905,0.00008745226,0.00024089857,0.000017285724],"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":[0.0066896733,0.00048451952,0.20696141,0.0010110189,0.00053208263,0.0005602283,0.0041234987,0.000022530638,0.28828445,0.0000029014964,0.01451616,0.47681153],"study_design_scores_gemma":[0.012473909,0.002357712,0.083317704,0.003448843,0.0009933232,0.00046375475,0.004464695,0.00195082,0.8807242,0.00040826565,0.00869923,0.00069757196],"about_ca_topic_score_codex":0.00011711232,"about_ca_topic_score_gemma":0.0000013187978,"teacher_disagreement_score":0.5924397,"about_ca_system_score_codex":0.0003722813,"about_ca_system_score_gemma":0.0010067519,"threshold_uncertainty_score":0.6660708},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9897222,0.0026855215,0.00008642232,0.0013698388,0.000088499415,0.00008718831,0.000006756851,0.00002182481,0.0059317336],"genre_scores_gemma":[0.99856347,0.00018813544,0.0003460371,0.000112269045,0.00032304937,0.000026130734,0.0000034990485,0.000016392354,0.00042099634],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9989148,0.0000281487,0.0002576632,0.00018714694,0.00043588228,0.00017638244],"domain_scores_gemma":[0.9992976,0.00008921536,0.00008244119,0.00027048233,0.000108310174,0.00015190527],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00036887257,0.00014185972,0.00033826346,0.000019631405,0.000079294696,0.000009367287,0.00010741546,0.0000257577,0.00012921914],"category_scores_gemma":[0.0006411129,0.00008288338,0.000061131635,0.000069285736,0.00030523693,0.000052765925,0.00008724278,0.00014944354,0.0000026871794],"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":[0.000370779,0.000058117053,0.0009120516,0.0004269794,0.00008680193,0.00004091654,0.0003798004,0.000005010704,0.9834101,0.000021437763,0.000886648,0.013401347],"study_design_scores_gemma":[0.00041330795,0.000109302826,0.0024791665,0.00036106346,0.00024212718,0.000329538,0.0009683866,0.00038410962,0.9921289,0.00006735144,0.0024125548,0.00010419489],"about_ca_topic_score_codex":0.00006466472,"about_ca_topic_score_gemma":4.1960328e-7,"teacher_disagreement_score":0.013297153,"about_ca_system_score_codex":0.000020350879,"about_ca_system_score_gemma":0.00007528195,"threshold_uncertainty_score":0.33798862},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9924597,0.00028778572,0.0000028520533,0.00008073159,0.00011098586,0.000053911837,0.000102217375,0.000025001349,0.0068768146],"genre_scores_gemma":[0.99863005,0.00002244162,0.000029887779,0.00001384158,0.00044270547,0.0000058535475,0.000013869998,0.000025486772,0.0008158931],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99846053,0.000018372113,0.00041521052,0.0002976908,0.000527971,0.00028024375],"domain_scores_gemma":[0.99878526,0.000108796194,0.00035752004,0.0004686915,0.00007999714,0.0001997088],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00018002122,0.0002485089,0.0004894843,0.000015222878,0.00005127032,0.000012991186,0.0003434718,0.00022085024,0.00061422377],"category_scores_gemma":[0.00021591122,0.00018167889,0.00013278115,0.00009409883,0.00056958676,0.00007331896,0.0002307782,0.0002931634,9.694852e-7],"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":[0.000163766,0.00008968728,0.0084399665,0.00059294835,0.000070429516,0.0000071939558,0.00034935476,5.799956e-7,0.98979765,0.00001703353,0.00010642707,0.000364961],"study_design_scores_gemma":[0.00090048957,0.000013486134,0.0010915804,0.0002594735,0.00008954909,0.00002325333,0.00090139074,0.000021887423,0.9947018,0.000041370706,0.0017711903,0.0001845531],"about_ca_topic_score_codex":0.000049873943,"about_ca_topic_score_gemma":0.0000010413762,"teacher_disagreement_score":0.0073483856,"about_ca_system_score_codex":0.000072033305,"about_ca_system_score_gemma":0.00018762492,"threshold_uncertainty_score":0.74086505},"labels":[],"label_agreement":null},{"id":"W2318920969","doi":"10.2174/157340611794859352","title":"Chemical Synthesis, Characterisation and Biological Evaluation of Furanic- Estradiol Derivatives as Inhibitors of 17&amp;#946;-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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.99725574,0.00081073807,0.000014202982,0.00012541431,0.000029293073,0.00018297856,0.000004095506,0.000017598015,0.0015599609],"genre_scores_gemma":[0.9993626,0.00009892148,0.00027488047,0.000045623194,0.000107985165,0.000010443654,0.00006051651,0.000010288252,0.000028740162],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9987296,0.00004629386,0.0003977613,0.00021721474,0.00048789228,0.000121231766],"domain_scores_gemma":[0.9990851,0.00008189247,0.00019860691,0.00017627113,0.00031469847,0.00014341285],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00049017323,0.00013982187,0.00037543837,0.000040508883,0.000021151054,0.0000018267457,0.00005159927,0.00017756585,0.0006780591],"category_scores_gemma":[0.0010634381,0.00010557951,0.00005696229,0.000115062605,0.0002524676,0.00004266567,0.000022033093,0.00012471672,0.0000041556086],"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":[0.00045294792,0.0001303778,0.0064151143,0.00012775313,0.000047661953,0.0000058038877,0.0005103934,1.7348441e-7,0.9861608,0.000006773143,0.00003610463,0.0061061005],"study_design_scores_gemma":[0.00081967446,0.00014158532,0.05007726,0.0002933213,0.00022196244,0.00027413695,0.00026447503,0.0002472377,0.9473311,0.000076749384,0.000157995,0.000094548916],"about_ca_topic_score_codex":0.00001733357,"about_ca_topic_score_gemma":3.143033e-7,"teacher_disagreement_score":0.043662142,"about_ca_system_score_codex":0.00004484496,"about_ca_system_score_gemma":0.00012751739,"threshold_uncertainty_score":0.74242723},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9976162,0.00028953882,0.0000014437775,0.00039484067,0.000010629444,0.000105093524,0.000021284683,0.00000542502,0.0015555973],"genre_scores_gemma":[0.99984634,0.000015772182,0.000021556003,0.000011459127,0.00006175567,0.000018964416,0.000003344869,3.1683678e-7,0.000020509155],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9993446,0.000036795576,0.00011351997,0.00011432862,0.00030933556,0.000081458704],"domain_scores_gemma":[0.9993352,0.00034751857,0.0001033405,0.000032102023,0.00014132276,0.000040483752],"candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.00032486158,0.000060923845,0.00015666826,0.0000025713682,0.000019794334,0.0000033987365,0.0000673603,0.000045951376,0.0010987236],"category_scores_gemma":[0.00036708274,0.000023513954,0.000022528222,0.00006411261,0.00010652626,0.0000505817,0.000019128898,0.00004441941,0.0000012050376],"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":[0.0000137381185,0.000024744057,0.005592053,0.000034943794,0.0000108129625,2.071452e-7,0.000020296695,3.856304e-7,0.93410075,0.0000013754812,0.000020447196,0.06018024],"study_design_scores_gemma":[0.000087295455,0.000026432494,0.1978364,0.000046379213,0.00003259426,0.0000029164296,0.00012093586,0.00040532005,0.8013463,0.000045961293,0.000010942915,0.00003850492],"about_ca_topic_score_codex":0.00011895674,"about_ca_topic_score_gemma":0.000008986378,"teacher_disagreement_score":0.19224435,"about_ca_system_score_codex":0.000008945628,"about_ca_system_score_gemma":0.000010591201,"threshold_uncertainty_score":0.9998144},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.99727345,0.00052289304,0.00007040276,0.0008133273,0.00010015119,0.00042663256,0.00005226271,0.00006189106,0.00067902036],"genre_scores_gemma":[0.99929273,0.00013912433,0.00008852885,0.00008668575,0.00018213718,0.000054817727,0.000022776332,0.000027595901,0.0001056079],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99803275,0.00009510906,0.0004379337,0.00055707386,0.0005458631,0.00033124466],"domain_scores_gemma":[0.9980116,0.0008113381,0.00012080648,0.0005541749,0.00010536996,0.0003967357],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005251763,0.0003690688,0.00075350027,0.000079472156,0.000059443537,0.0000057151897,0.000104693216,0.00019783582,0.0007387766],"category_scores_gemma":[0.00046247535,0.00020236474,0.0001548011,0.00020993277,0.00033635861,0.000047935067,0.000042307154,0.00019502622,0.000014965383],"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":[0.002388223,0.00051748625,0.0145941945,0.000718998,0.00010580192,0.00032873463,0.000054293265,7.9158286e-7,0.971734,0.0000034725256,0.00035554156,0.009198454],"study_design_scores_gemma":[0.008665378,0.0028360428,0.0065949205,0.0013328961,0.00040463853,0.00010193697,0.00001937624,0.000010477462,0.9795113,0.000016811988,0.00033460683,0.0001715786],"about_ca_topic_score_codex":0.000021454673,"about_ca_topic_score_gemma":0.0000018514953,"teacher_disagreement_score":0.009026875,"about_ca_system_score_codex":0.000112845446,"about_ca_system_score_gemma":0.000051971023,"threshold_uncertainty_score":0.82521945},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9911895,0.006294323,0.000019237974,0.0013945947,0.00017016893,0.0002235829,0.000031249478,0.00009341722,0.00058394164],"genre_scores_gemma":[0.99106115,0.0013767356,0.00013664366,0.00079604465,0.0012509027,0.000028915118,0.000045732035,0.000043073764,0.005260818],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9984966,0.000019275243,0.00027826714,0.00041068415,0.00037794458,0.00041721668],"domain_scores_gemma":[0.9989594,0.000049061277,0.00013669847,0.00030901545,0.0002998053,0.00024600772],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00017403658,0.00030882165,0.0005172514,0.000050005776,0.00014418254,0.00002645186,0.00012515468,0.00020382703,0.00032546688],"category_scores_gemma":[0.00006678865,0.00022904463,0.000051131166,0.00022883805,0.0010620622,0.00008775384,0.00003516166,0.00035093675,0.000008761994],"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":[0.003399501,0.00007297654,0.0010880018,0.0004079614,0.000116200696,0.0001420263,0.00053665595,5.397136e-7,0.99037635,0.0000011696575,0.0017182621,0.0021403355],"study_design_scores_gemma":[0.0038145075,0.0005954587,0.015776992,0.00084986206,0.0002890886,0.0018868513,0.0008368239,0.00014647131,0.9642751,0.000002760074,0.01123095,0.0002951114],"about_ca_topic_score_codex":0.0014819773,"about_ca_topic_score_gemma":0.000029164059,"teacher_disagreement_score":0.026101246,"about_ca_system_score_codex":0.00022462894,"about_ca_system_score_gemma":0.0008728587,"threshold_uncertainty_score":0.9340169},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9973682,0.0012752601,0.00009587089,0.00017819916,0.00008300929,0.00012933568,0.000008419186,0.0000050899184,0.0008565981],"genre_scores_gemma":[0.9988102,0.00014519614,0.0002999534,0.00013318387,0.00010931364,0.000011876371,0.000057931695,0.000010299144,0.0004220707],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99914044,0.000022920516,0.00018078249,0.00031558014,0.000173056,0.00016719542],"domain_scores_gemma":[0.9996795,0.00003488578,0.00007406718,0.00011513988,0.000041359155,0.00005504475],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00015769982,0.00014222575,0.00018548005,0.000030365489,0.000027786702,0.00000885102,0.0000655943,0.000096251046,0.0000232228],"category_scores_gemma":[0.00008853839,0.00013511552,0.00002971561,0.00007858609,0.00010356678,0.000006844994,0.00007602095,0.000112654794,0.0000030120664],"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":[0.00020071342,0.00008325295,0.011299809,0.00010614489,0.000028256598,0.00001237419,0.00017716512,0.00008145199,0.9872811,0.0000037693333,0.00009748829,0.0006284953],"study_design_scores_gemma":[0.0014796738,0.000070296264,0.019848716,0.000078207944,0.000007807051,0.000059376725,0.0006235779,0.00016968626,0.9773301,0.000060322258,0.0001298541,0.00014239122],"about_ca_topic_score_codex":0.00003159589,"about_ca_topic_score_gemma":0.000006643256,"teacher_disagreement_score":0.009950988,"about_ca_system_score_codex":0.000041303203,"about_ca_system_score_gemma":0.00006180022,"threshold_uncertainty_score":0.55098516},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.97437793,0.02304743,0.0002374408,0.0014913001,0.00009096194,0.00016420333,0.000018041497,0.000047411628,0.0005253102],"genre_scores_gemma":[0.9969271,0.0007845783,0.0002872218,0.0009126013,0.00079932134,0.000019619927,0.00008523896,0.000039144357,0.00014518276],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.998314,0.000033174994,0.00034118083,0.0006880761,0.00024894084,0.0003745988],"domain_scores_gemma":[0.99907744,0.00003712609,0.00013843634,0.00019101783,0.0000790948,0.00047690977],"candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.00018302545,0.00033879554,0.00034384144,0.000028239834,0.00016713527,0.000042581218,0.00015388672,0.0002501942,0.000034159726],"category_scores_gemma":[0.00024684248,0.00031824224,0.000080139005,0.00019530025,0.00022355156,0.000013488765,0.00013850493,0.00026363303,0.0000029234216],"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":[0.0003534878,0.000044258923,0.0041998145,0.000173151,0.0001112671,0.00011166539,0.00028034917,0.000033339125,0.98709947,0.000006110296,0.005707868,0.0018792067],"study_design_scores_gemma":[0.0017485284,0.00023140832,0.0010382601,0.00007818631,0.00012886204,0.00014828776,0.000290261,0.00026388408,0.98954403,0.000023281073,0.0061170296,0.0003879701],"about_ca_topic_score_codex":0.00007356207,"about_ca_topic_score_gemma":0.0000012156191,"teacher_disagreement_score":0.022549191,"about_ca_system_score_codex":0.00002189114,"about_ca_system_score_gemma":0.000093336064,"threshold_uncertainty_score":0.999927},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.995444,0.0035711317,0.00029113132,0.00049085973,0.000014051976,0.000027395557,0.000007404569,0.000003069461,0.00015093668],"genre_scores_gemma":[0.99931955,0.00014789373,0.00002273371,0.00012883634,0.00025057336,0.0000064632322,0.00006113751,0.000004794039,0.000058011505],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99941736,0.000011542852,0.0001913035,0.00019711729,0.00010682667,0.00007587176],"domain_scores_gemma":[0.9997383,0.000007436375,0.00006930944,0.000088832145,0.000028716722,0.000067434055],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0000677137,0.00006644683,0.00013703691,0.000020663287,0.000012430743,0.0000031926797,0.00006698094,0.00008154253,0.0000805166],"category_scores_gemma":[0.000056353325,0.000060099857,0.00003777153,0.00021532315,0.000043765765,0.0000018168308,0.000044781555,0.000065152046,2.1469165e-7],"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":[0.000042783755,0.000012592174,0.043436214,0.00006814157,0.000043935073,0.000002430945,0.00012144829,0.00015663465,0.95475316,5.264703e-7,0.0011147355,0.00024738163],"study_design_scores_gemma":[0.00024065886,0.000019078796,0.007783388,0.000028567894,0.00011098944,8.959383e-7,0.00018759149,0.00065939565,0.990147,0.000002911799,0.0007534994,0.00006602904],"about_ca_topic_score_codex":0.000036934976,"about_ca_topic_score_gemma":0.0000028774848,"teacher_disagreement_score":0.035652827,"about_ca_system_score_codex":0.0000050695103,"about_ca_system_score_gemma":0.000022870521,"threshold_uncertainty_score":0.24508011},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9769685,0.00039536224,0.00006411856,0.0005300947,0.00028033956,0.0002358007,0.00017634087,0.00021561251,0.021133808],"genre_scores_gemma":[0.9951366,0.00005762988,0.0005352665,0.0003276406,0.00036006616,0.00015947642,0.000069901165,0.00006816451,0.0032852145],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.995682,0.00014255967,0.00086756464,0.0013795925,0.00092790026,0.001000368],"domain_scores_gemma":[0.997506,0.00052329135,0.0003713964,0.0007813147,0.0000815305,0.00073641667],"candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0010534632,0.0007228955,0.0010162771,0.00008392815,0.0006397083,0.00008066676,0.0007404351,0.00039600846,0.0030694026],"category_scores_gemma":[0.00026079643,0.00061026664,0.000290798,0.00045882483,0.00035460782,0.000100357254,0.00082790083,0.0012494402,0.000022942015],"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":[0.00043946074,0.00030545224,0.0038556342,0.00018093106,0.00014367152,0.0003927539,0.00028985526,0.00002987281,0.99064904,0.0000035587132,0.00028510013,0.0034246482],"study_design_scores_gemma":[0.0010505053,0.00018960204,0.002252724,0.00012579141,0.00014875736,0.0006192846,0.0012310414,0.0003705718,0.9910119,0.0001605003,0.002043211,0.00079611526],"about_ca_topic_score_codex":0.0003240258,"about_ca_topic_score_gemma":0.0000070285614,"teacher_disagreement_score":0.018168118,"about_ca_system_score_codex":0.00035422746,"about_ca_system_score_gemma":0.00015557633,"threshold_uncertainty_score":0.99963486},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.99021727,0.0088209165,0.000014060887,0.00021617333,0.00014433038,0.0001228552,0.0000065055638,0.000009501274,0.00044839425],"genre_scores_gemma":[0.9979379,0.0013694968,0.000040585488,0.00002591921,0.00013145871,0.000023849623,0.00017420508,0.000011421421,0.0002851734],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9991964,0.000026865604,0.0002494126,0.00028367146,0.00013398666,0.00010963747],"domain_scores_gemma":[0.99975973,0.0000281546,0.000050596223,0.000097460616,0.000021566027,0.00004249424],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0000891626,0.00013576174,0.00015877662,0.0000377984,0.00002484365,0.0000085413385,0.000035947127,0.00010837996,0.00001668046],"category_scores_gemma":[0.000075287506,0.00011258174,0.00004465006,0.00008949289,0.00013790894,0.0000037412228,0.000012823908,0.00005274201,0.0000017316124],"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":[0.00024395663,0.000111310575,0.0005785313,0.0001338299,0.00008559018,0.000023366678,0.0007610743,0.000020878715,0.99643594,0.000011973003,0.00019185293,0.0014016774],"study_design_scores_gemma":[0.0012477922,0.0005089591,0.0005222341,0.00014152736,0.00003749729,0.000030317513,0.0024656141,0.00006560573,0.9945759,0.000118226526,0.00018708599,0.00009920132],"about_ca_topic_score_codex":0.000009863949,"about_ca_topic_score_gemma":8.634426e-7,"teacher_disagreement_score":0.0077206274,"about_ca_system_score_codex":0.000044853645,"about_ca_system_score_gemma":0.000045738885,"threshold_uncertainty_score":0.45909503},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9885887,0.009009662,0.00087179715,0.0006931426,0.00011737469,0.00038075412,0.00021341993,0.00002423148,0.00010090681],"genre_scores_gemma":[0.99823284,0.0002476629,0.00011101278,0.00016779723,0.00073409727,0.00010438784,0.0001534016,0.000027109221,0.0002217066],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99892306,0.0000075943003,0.00033487956,0.00038467723,0.00017287502,0.00017692684],"domain_scores_gemma":[0.9994737,0.00012694621,0.00003607659,0.00016162872,0.000060795694,0.00014087088],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0000803744,0.0002096732,0.00035684128,0.000068532914,0.000022827147,0.000017775292,0.00003634994,0.000078130695,0.00001023541],"category_scores_gemma":[0.00009002484,0.00015800001,0.00011400099,0.00013124252,0.00008732,0.00016181724,0.000022994618,0.00012113018,2.934437e-7],"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":[0.0016215127,0.0009992754,0.0025505738,0.0016723869,0.00035454376,0.00019596634,0.001766747,0.0009070778,0.9882938,0.0000116298315,0.00030392,0.0013225361],"study_design_scores_gemma":[0.0057670656,0.00047284822,0.000266472,0.0017636936,0.0010899344,0.00021971184,0.0008257582,0.15597577,0.83289087,0.00002101825,0.0004708864,0.00023598013],"about_ca_topic_score_codex":0.000029746054,"about_ca_topic_score_gemma":0.000002961949,"teacher_disagreement_score":0.15540297,"about_ca_system_score_codex":0.0000659848,"about_ca_system_score_gemma":0.00016418195,"threshold_uncertainty_score":0.64430535},"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":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9350494,0.0009912766,0.061649542,0.0003093706,0.00013746212,0.00061372,0.0006687072,0.000037397753,0.00054313743],"genre_scores_gemma":[0.99518067,0.00003156012,0.0021191204,0.00011485159,0.00015680294,0.00013540011,0.0021366756,0.000012353294,0.000112543894],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9988245,0.000027825938,0.00035010313,0.00036173864,0.00028673164,0.0001491173],"domain_scores_gemma":[0.9990517,0.00019607005,0.00020996545,0.0002692124,0.00017154761,0.00010153709],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001709671,0.0001845608,0.00031228337,0.000050722276,0.00012220099,0.000015120954,0.00013395089,0.00010070259,0.00003503103],"category_scores_gemma":[0.00011440207,0.00012202939,0.000108018045,0.00017107672,0.00017132612,0.000054673674,0.000019963449,0.00014389936,9.2665556e-7],"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":[0.0015579078,0.0015944216,0.008786469,0.00039523182,0.001046618,0.000021806885,0.0010759876,0.0002243549,0.9729113,0.00015454166,0.0010054897,0.011225901],"study_design_scores_gemma":[0.0029036005,0.00012196484,0.029224733,0.00025144848,0.0007456471,0.000007449299,0.0041375495,0.033995785,0.92709655,0.0006950561,0.0007003119,0.0001199193],"about_ca_topic_score_codex":0.00009504586,"about_ca_topic_score_gemma":0.0000014987904,"teacher_disagreement_score":0.060131304,"about_ca_system_score_codex":0.00010708039,"about_ca_system_score_gemma":0.0002059957,"threshold_uncertainty_score":0.49762142},"labels":[],"label_agreement":null}]}