{"meta":{"page":1,"per_page":50,"max_per_page":100,"total":159,"total_is_capped":false,"direct_labels_cover":1,"predictions_cover":159,"direct_label_status":"direct model label, unvalidated","prediction_status":"machine_predicted_unvalidated (Codex and Gemma teacher distillation)","score_status":"score_only:v0-immature-baseline (scores rank; they never assert a category)","snapshot":{"source":"OpenAlex, pinned release, all 482 partitions","release":"2026-06-24","frame_built":"2026-07-12","author_layer_release":"2026-06-26"},"query_hash":"f4753db48dcb","filters":{"venue":"ChemMedChem"}},"results":[{"id":"W2058616449","doi":"10.1002/cmdc.201000485","title":"Revealing Atropisomer Axial Chirality in Drug Discovery","year":2011,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Axial and Atropisomeric Chirality Synthesis","field":"Chemistry","cited_by":520,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Boehringer Ingelheim (Canada)","funders":"","keywords":"Atropisomer; Axial chirality; Chirality (physics); Enantiomer; Chemistry; Steric effects; Drug discovery; Diastereomer; Stereochemistry; Enantioselective synthesis; Physics; Organic chemistry; Quantum mechanics; Symmetry breaking","authors":[{"name":"Steven R. LaPlante","is_ca":false},{"name":"Paul Edwards","is_ca":true},{"name":"Lee D. Fader","is_ca":true},{"name":"Araz Jakalian","is_ca":true},{"name":"Oliver Hucke","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.03228885542300449,"gpt":0.2228364116095799,"spread":0.1905475561865754,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0001305083,0.0002904819,0.000390203,0.00004527703,0.00007061556,0.00003289688,0.0003578347,0.0001194113,0.00116665],"category_scores_gemma":[0.00006300795,0.0002400693,0.0001531525,0.0002186136,0.0001825909,0.0003155509,0.0001211787,0.0003222656,0.00006612679],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001170053,"about_ca_system_score_gemma":0.00005144724,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001426891,"about_ca_topic_score_gemma":0.0001898706,"domain_scores_codex":[0.9983149,0.00001873892,0.0004064772,0.0004992009,0.0002552609,0.0005054037],"domain_scores_gemma":[0.9991464,0.00005832278,0.0001361104,0.0005050633,0.00002547884,0.0001286498],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"observational","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001348845,0.001963645,0.5053714,0.001633939,0.000350259,0.0004111484,0.01249142,0.000004854727,0.4318643,0.007441184,0.001921745,0.03519727],"study_design_scores_gemma":[0.0006632095,0.0000109118,0.01321954,0.0001249909,0.00002783824,0.00001002577,0.000625106,0.000007657252,0.9811296,0.001441853,0.002298776,0.0004404836],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9292831,0.0001050717,0.00005562068,0.0002105892,0.00007046705,0.00006121986,0.00001486579,0.0001087969,0.07009032],"genre_scores_gemma":[0.9934813,0.00002689261,0.001088498,0.0001259386,0.0003549526,0.00003521606,0.00002074522,0.00004069131,0.004825812],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.5492653,"threshold_uncertainty_score":0.9997464,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1990606491","doi":"10.1002/cmdc.200700063","title":"Mannosylated G(0) Dendrimers with Nanomolar Affinities to <i>Escherichia coli</i> FimH","year":2007,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Carbohydrate Chemistry and Synthesis","field":"Chemistry","cited_by":171,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"Université du Québec à Montréal","funders":"Natural Sciences and Engineering Research Council of Canada; Fonds Wetenschappelijk Onderzoek","keywords":"Canavalia ensiformis; Chemistry; Pentaerythritol; Escherichia coli; Dendrimer; Concanavalin A; Stereochemistry; Propargyl; Lectin; Sonogashira coupling; Mannose; Tetramer; Biochemistry; Combinatorial chemistry; In vitro; Organic chemistry","authors":[{"name":"Mohamed Touaibia","is_ca":true},{"name":"A. Wellens","is_ca":false},{"name":"Tze Chieh Shiao","is_ca":true},{"name":"Qingan Wang","is_ca":true},{"name":"Suzanne Sirois","is_ca":true},{"name":"Julie Bouckaert","is_ca":false},{"name":"René Roy","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01094986510229451,"gpt":0.2123666941328841,"spread":0.2014168290305896,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0002492711,0.0004387833,0.0004063134,0.00006515408,0.0001646609,0.00007615479,0.0004367038,0.0002941706,0.002117422],"category_scores_gemma":[0.0001077218,0.000416912,0.0001366044,0.0004661668,0.0001608725,0.0001156982,0.0001002876,0.000358638,0.0002076849],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001822031,"about_ca_system_score_gemma":0.0001017263,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003793222,"about_ca_topic_score_gemma":0.00003079967,"domain_scores_codex":[0.9978075,0.000007517885,0.0004035488,0.0005856395,0.0003922318,0.0008035715],"domain_scores_gemma":[0.9984112,0.0002023529,0.0001266312,0.0006522529,0.0001334855,0.0004740535],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002885294,0.0001061596,0.0005283835,0.0001531585,0.0001141176,0.0001794085,0.000615869,0.000007796644,0.9946519,0.00004532065,0.002391797,0.0009175744],"study_design_scores_gemma":[0.0005334649,0.00002384975,0.00008899509,0.0001085411,0.00006569676,0.00003712847,0.001502053,0.00001014163,0.9580305,0.00002475009,0.03899117,0.0005836826],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8014343,0.0001234071,0.00008852653,0.0002130478,0.00006233532,0.000078565,0.00002690353,0.0002290684,0.1977439],"genre_scores_gemma":[0.9858984,0.00001253349,0.001461117,0.0005729513,0.0002872605,0.00003833478,0.00006914124,0.00008712145,0.01157308],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1861708,"threshold_uncertainty_score":0.9998283,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2050238491","doi":"10.1002/cmdc.200900076","title":"PAMAM Dendrimers Mediate siRNA Delivery to Target Hsp27 and Produce Potent Antiproliferative Effects on Prostate Cancer Cells","year":2009,"lang":"en","type":"article","venue":"ChemMedChem","topic":"RNA Interference and Gene Delivery","field":"Biochemistry, Genetics and Molecular Biology","cited_by":129,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Vancouver General Hospital","funders":"","keywords":"Gene silencing; RNA interference; Small interfering RNA; Hsp27; Prostate cancer; Dendrimer; Cancer research; Chemistry; Cancer cell; Cancer; Transfection; Cell biology; Biology; Heat shock protein; Biochemistry; RNA; Gene; Hsp70","authors":[{"name":"Xiaoxuan Liu","is_ca":false},{"name":"Palma Rocchi","is_ca":false},{"name":"Fan‐qi Qu","is_ca":false},{"name":"Shusen Zheng","is_ca":false},{"name":"Zicai Liang","is_ca":false},{"name":"Martin Gleave","is_ca":true},{"name":"Juan Iovanna","is_ca":false},{"name":"Ling Peng","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.005746636132261595,"gpt":0.2377800274545327,"spread":0.2320333913222711,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0001112619,0.000290256,0.0002371407,0.00005552659,0.00008189391,0.00003947306,0.0001769517,0.0001384198,0.000009540788],"category_scores_gemma":[0.00005249813,0.0002546622,0.00007316088,0.0001019656,0.00004904504,0.000008901764,0.00008106572,0.0001363148,0.00004117368],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003140977,"about_ca_system_score_gemma":0.00007802315,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001392081,"about_ca_topic_score_gemma":0.00000681747,"domain_scores_codex":[0.9985397,0.00003589416,0.0001946971,0.0006475241,0.0001740068,0.0004081742],"domain_scores_gemma":[0.9992426,0.00001471777,0.0000746296,0.0003113404,0.0001284483,0.0002282793],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002841512,0.00007371651,0.00051477,0.0000335034,0.00005988085,0.00002584978,0.0003279955,0.0000604057,0.9718884,0.000003112899,0.008655827,0.01807238],"study_design_scores_gemma":[0.0005222731,0.0009464308,0.00240375,0.00007354854,0.00002389187,0.000007761498,0.00006061033,0.00002361274,0.9923084,0.00003910361,0.00326207,0.0003285725],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9956834,0.001643853,0.00003675975,0.00123282,0.0002545532,0.0005318697,0.00002981293,0.0000211756,0.0005657934],"genre_scores_gemma":[0.9931465,0.0009931921,0.0004437552,0.00386459,0.000427715,0.00007320492,0.0000583963,0.0000238057,0.0009688482],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02041997,"threshold_uncertainty_score":0.9999906,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2052892367","doi":"10.1002/cmdc.200800123","title":"Molecular Approaches towards the Inhibition of the Signal Transducer and Activator of Transcription 3 (Stat3) Protein","year":2008,"lang":"en","type":"review","venue":"ChemMedChem","topic":"Cytokine Signaling Pathways and Interactions","field":"Medicine","cited_by":103,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Toronto","funders":"National Cancer Institute","keywords":"Library science; Citation; Chemistry; Computer science","authors":[{"name":"Steven Fletcher","is_ca":true},{"name":"James Turkson","is_ca":false},{"name":"Patrick T. Gunning","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.1202978688671713,"gpt":0.2941872843640727,"spread":0.1738894154969014,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001404493,0.0002895036,0.0009183396,0.00007648231,0.000064769,0.000007163738,0.0001163558,0.000231135,0.00006041554],"category_scores_gemma":[0.00004344178,0.0001522244,0.0007130576,0.0002936341,0.0003069854,0.00004937921,0.00002343562,0.0005302462,9.394703e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006306931,"about_ca_system_score_gemma":0.0003416596,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002292421,"about_ca_topic_score_gemma":8.407917e-7,"domain_scores_codex":[0.9985923,0.00009143633,0.0005660088,0.0002650448,0.0003313379,0.0001538288],"domain_scores_gemma":[0.9990914,0.00004343399,0.0003648318,0.0003542771,0.00008837685,0.00005772087],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00006177765,0.000318492,7.456581e-7,0.01836741,0.0004021742,0.000005768507,0.00105147,8.224063e-7,0.5269137,0.0002386654,0.0002255988,0.4524134],"study_design_scores_gemma":[0.0003460242,0.00009496979,0.000005587719,0.008529037,0.0006738435,0.0001502178,0.00009047982,0.000009019082,0.8617501,0.00002910503,0.1281941,0.0001275163],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.03081079,0.9647539,0.0002837138,0.0004765586,0.00007128735,0.002176581,0.0000990104,0.00002257337,0.001305594],"genre_scores_gemma":[0.2382488,0.7608805,0.0001380099,0.00004108847,0.0001480812,0.0002702007,0.0000905328,0.00006440333,0.0001183089],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.4522859,"threshold_uncertainty_score":0.6207532,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2165117225","doi":"10.1002/cmdc.201500103","title":"Novel Furin Inhibitors with Potent Anti‐infectious Activity","year":2015,"lang":"en","type":"article","venue":"ChemMedChem","topic":"RNA and protein synthesis mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":79,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"","funders":"National Institute on Drug Abuse; Deutsche Forschungsgemeinschaft; Public Health Agency of Canada","keywords":"Furin; Vero cell; Virology; Structure–activity relationship; Virus; Biology; Biochemistry; Chemistry; Microbiology; Enzyme; In vitro","authors":[{"name":"Kornelia Hardes","is_ca":false},{"name":"Gero L. Becker","is_ca":false},{"name":"Yinghui Lu","is_ca":false},{"name":"Sven O. Dahms","is_ca":false},{"name":"Susanne M. Köhler","is_ca":false},{"name":"Wolfgang Beyer","is_ca":false},{"name":"Kirsten Sandvig","is_ca":false},{"name":"Hiroyuki Yamamoto","is_ca":false},{"name":"Iris Lindberg","is_ca":false},{"name":"Lisa Walz","is_ca":false},{"name":"Veronika von Messling","is_ca":false},{"name":"Manuel E. Than","is_ca":false},{"name":"Wolfgang Garten","is_ca":false},{"name":"Torsten Steinmetzer","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01899786251993377,"gpt":0.2280477933033338,"spread":0.2090499307834,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001979609,0.0001928214,0.0001634578,0.00002767568,0.0000524694,0.00002439974,0.0001407949,0.0001754015,0.000009340579],"category_scores_gemma":[0.00007194417,0.0001570058,0.00006730357,0.00008946413,0.00005247377,0.000006119154,0.00008850754,0.00008883316,0.00002840202],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003012164,"about_ca_system_score_gemma":0.0001106632,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003312784,"about_ca_topic_score_gemma":0.00001319327,"domain_scores_codex":[0.9990463,0.00002135567,0.000108698,0.0003597777,0.0001942895,0.000269641],"domain_scores_gemma":[0.9992552,0.000006372695,0.00007997543,0.0003657762,0.00009711719,0.0001955708],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00008487513,0.0001279782,0.0005396993,0.00001141928,0.00004026879,0.000004958928,0.00003385087,0.00001356124,0.9921642,0.0000320069,0.0009570965,0.005990114],"study_design_scores_gemma":[0.0008058216,0.0002776674,0.0003467641,0.00001415605,0.00001560363,0.00007811564,0.00004801661,0.000007757551,0.9882687,0.0000524891,0.009841995,0.0002428637],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9845335,0.0001457064,0.007960278,0.0002436174,0.0001784186,0.0001918629,0.000005589351,0.00004017061,0.006700804],"genre_scores_gemma":[0.9972553,0.00001595772,0.001320338,0.0001334314,0.0003710688,0.00004010645,0.00001752561,0.00003531977,0.0008108991],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0127218,"threshold_uncertainty_score":0.6402509,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2166085242","doi":"10.1002/cmdc.201100492","title":"Elucidation of the Structure–Activity Relationships of Apelin: Influence of Unnatural Amino Acids on Binding, Signaling, and Plasma Stability","year":2011,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Apelin-related biomedical research","field":"Medicine","cited_by":71,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Université de Sherbrooke","funders":"","keywords":"Apelin; Receptor; Chemistry; Amino acid; G protein-coupled receptor; Peptide; Endogeny; Hormone; Biochemistry; Ligand (biochemistry); Stereochemistry; Cell biology; Biology","authors":[{"name":"Alexandre Murza","is_ca":true},{"name":"Alexandre J. Parent","is_ca":true},{"name":"Élie Besserer‐Offroy","is_ca":true},{"name":"Hugo Tremblay","is_ca":true},{"name":"Félix Karadereye","is_ca":true},{"name":"Nicolas Beaudet","is_ca":true},{"name":"Richard Leduc","is_ca":true},{"name":"Philippe Sarret","is_ca":true},{"name":"Éric Marsault","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.07175878918810256,"gpt":0.2922788791500351,"spread":0.2205200899619325,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006274228,0.0001346703,0.0003108384,0.0001025572,0.00004954487,0.000002123036,0.0001773647,0.0002907805,0.0001462019],"category_scores_gemma":[0.003139989,0.00008870457,0.00007544594,0.0004473141,0.0008415616,0.00008003493,0.0001046829,0.0007321003,0.000002359889],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007160829,"about_ca_system_score_gemma":0.0001654697,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005348269,"about_ca_topic_score_gemma":0.000007509394,"domain_scores_codex":[0.998384,0.0001034696,0.0004239376,0.0002437688,0.0006569783,0.0001878566],"domain_scores_gemma":[0.9983485,0.0004354639,0.0003371171,0.0004348691,0.000317873,0.000126132],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0003984661,0.0001406608,0.1677455,0.0002751423,0.00004435101,7.056535e-7,0.0009288418,0.000001988124,0.8289401,0.0001206691,0.00001706913,0.001386552],"study_design_scores_gemma":[0.0004998043,0.0001336095,0.3979705,0.0001334096,0.00003674472,0.000002410574,0.00009152335,0.0001248161,0.6007717,0.0001877275,0.000005802192,0.00004196149],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9988502,0.00003500215,0.00001424782,0.0001544814,0.0000363084,0.0003444642,0.00003117733,0.0000123433,0.0005218011],"genre_scores_gemma":[0.9995148,0.00001112924,0.000360528,0.00001475238,0.00001855986,0.000002578203,0.00001227987,0.00001155378,0.00005386097],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.230225,"threshold_uncertainty_score":0.3759087,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2068806966","doi":"10.1002/cmdc.200700100","title":"X‐ray Structures and Thermodynamics of the Interaction of PA‐IIL from <i>Pseudomonas aeruginosa</i> with Disaccharide Derivatives","year":2007,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Carbohydrate Chemistry and Synthesis","field":"Chemistry","cited_by":62,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"Université du Québec à Montréal","funders":"Centre National de la Recherche Scientifique; National Institute of General Medical Sciences; Narodowe Centrum Badań i Rozwoju; Canada Research Chairs; European Synchrotron Radiation Facility","keywords":"Pseudomonas aeruginosa; Disaccharide; Chemistry; Biofilm; Lectin; Fucose; Bacteria; Ligand (biochemistry); Microbiology; Stereochemistry; Biochemistry; Galactose; Biology; Receptor","authors":[{"name":"Karine Marotte","is_ca":true},{"name":"Charles Sabin","is_ca":false},{"name":"Cathy Préville","is_ca":true},{"name":"Myriam Moumé‐Pymbock","is_ca":true},{"name":"Michaela Wimmerová","is_ca":false},{"name":"Edward P. Mitchell","is_ca":false},{"name":"Anne Imberty","is_ca":false},{"name":"René Roy","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.009996119935749366,"gpt":0.2185696091589424,"spread":0.208573489223193,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008863649,0.0002042099,0.0002776921,0.00001727286,0.00005298932,0.00001272752,0.0002435885,0.0001363388,0.0001903623],"category_scores_gemma":[0.00009575965,0.0001362685,0.00008911574,0.0001228166,0.0003628499,0.00007916245,0.00009215988,0.0002114882,2.806342e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004617377,"about_ca_system_score_gemma":0.00003476049,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001313703,"about_ca_topic_score_gemma":0.00003927086,"domain_scores_codex":[0.9990151,0.000008813499,0.0003121647,0.0002584694,0.0002218377,0.0001836316],"domain_scores_gemma":[0.9987701,0.0003602502,0.0003118546,0.0004256127,0.0000696743,0.00006251964],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001646369,0.00004776041,0.009391781,0.0001386045,0.0001011873,0.000002284452,0.001145499,0.00001076175,0.9867496,0.00008442791,0.00001402472,0.002149423],"study_design_scores_gemma":[0.0003295218,0.000006034251,0.004754109,0.0001356439,0.00006199501,0.000007997624,0.002362342,0.00009948887,0.9913121,0.0007029324,0.00007231988,0.0001554894],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9891816,0.0001357463,0.0001415875,0.0000792638,0.00003906819,0.00004644968,0.00006243982,0.00002142369,0.01029239],"genre_scores_gemma":[0.9993752,0.00002593858,0.0003376881,0.00002603547,0.0000802281,0.000004454794,0.00002206203,0.00002211306,0.0001062757],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01019357,"threshold_uncertainty_score":0.5556868,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2794066541","doi":"10.1002/cmdc.201700718","title":"Discovery of Rogaratinib (BAY 1163877): a pan‐FGFR Inhibitor","year":2018,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Fibroblast Growth Factor Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":62,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Discovery Centre","funders":"","keywords":"Fibroblast growth factor receptor; Fibroblast growth factor receptor 1; Bay; Pharmacokinetics; Drug discovery; Small molecule; Cancer research; Fibroblast growth factor; Chemistry; Pharmacology; Receptor; Computational biology; Medicine; Biology; Biochemistry; Geography","authors":[{"name":"Marie-Pierre L. Collin","is_ca":false},{"name":"Mario Lobell","is_ca":false},{"name":"Walter Hübsch","is_ca":false},{"name":"Dirk Brohm","is_ca":false},{"name":"Hartmut Schirok","is_ca":false},{"name":"Rolf Jautelat","is_ca":false},{"name":"Klemens Lustig","is_ca":false},{"name":"Ulf Bömer","is_ca":true},{"name":"Verena Vöhringer","is_ca":false},{"name":"Mélanie Héroult","is_ca":false},{"name":"Sylvia Grünewald","is_ca":false},{"name":"Holger Hess‐Stumpp","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01528207215363338,"gpt":0.2823117751963115,"spread":0.2670297030426781,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001736399,0.0001849168,0.0001967325,0.00004843819,0.00005335232,0.00002791953,0.0003197349,0.0001960754,0.00006344071],"category_scores_gemma":[0.0002403339,0.000169252,0.0001240372,0.0001625666,0.0004377607,0.00001117942,0.0002901909,0.0001235737,0.00008108264],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002073048,"about_ca_system_score_gemma":0.0001389649,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001317864,"about_ca_topic_score_gemma":0.00002571377,"domain_scores_codex":[0.9986551,0.00003630899,0.0002631504,0.0004068823,0.0002613051,0.0003772005],"domain_scores_gemma":[0.9990403,0.0000225716,0.0000948926,0.0005683812,0.0001820059,0.0000918498],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.000138684,0.00008319803,0.002467663,0.00005349458,0.00004453217,0.000001789024,0.00008088975,1.363886e-7,0.9877849,0.00007668992,0.008601193,0.0006668699],"study_design_scores_gemma":[0.0005374106,0.0004646826,0.002020337,0.00003160771,0.000007665498,0.000007326869,0.00006732567,0.00000965971,0.9849759,0.00005778652,0.01164035,0.0001799876],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.992722,0.0001751031,0.0003062942,0.0001265922,0.0001476595,0.0001869629,0.00003604186,0.00001637532,0.006283008],"genre_scores_gemma":[0.9956243,0.00001940844,0.0005893285,0.00008906393,0.0008432312,0.00002391573,0.00009082387,0.00003745431,0.002682485],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003600523,"threshold_uncertainty_score":0.6901895,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2950275047","doi":"10.1002/cmdc.201700663","title":"Identification and Optimization of 4‐Anilinoquinolines as Inhibitors of Cyclin G Associated Kinase","year":2017,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Cancer therapeutics and mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":58,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"","funders":"National Institute of Diabetes and Digestive and Kidney Diseases; Engineering and Physical Sciences Research Council; University of North Carolina at Chapel Hill; National Institutes of Health; Novartis Pharma; China Scholarship Council; Biocenter Finland; Ministero dello Sviluppo Economico; Fundação de Amparo à Pesquisa do Estado de São Paulo; Ontario Ministry of Economic Development and Innovation; Wellcome Trust; Wellcome; National Institute of Mental Health; Pfizer","keywords":"Kinome; Kinase; Subfamily; Chemistry; Quinoline; Regulator; Broad spectrum; Biochemistry; Biology; Stereochemistry; Combinatorial chemistry; Gene","authors":[{"name":"Christopher R. M. Asquith","is_ca":false},{"name":"Tuomo Laitinen","is_ca":false},{"name":"James M. Bennett","is_ca":false},{"name":"Paulo H. Godoi","is_ca":false},{"name":"Michael P. East","is_ca":false},{"name":"Graham J. Tizzard","is_ca":false},{"name":"Lee M. Graves","is_ca":false},{"name":"Gary L. Johnson","is_ca":false},{"name":"Ronna E. Dornsife","is_ca":false},{"name":"Carrow I. Wells","is_ca":false},{"name":"Jonathan M. Elkins","is_ca":false},{"name":"Timothy M. Willson","is_ca":false},{"name":"William J. Zuercher","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01469029871442656,"gpt":0.2795242816394276,"spread":0.264833982925001,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001324382,0.00007261518,0.000113777,0.00001963893,0.0000559095,0.00001434628,0.0001203261,0.0001166167,0.000006378692],"category_scores_gemma":[0.0001554621,0.00007549034,0.00004339148,0.00002150404,0.00009572478,0.000004547691,0.0000685908,0.00002845096,4.185575e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000006751994,"about_ca_system_score_gemma":0.00003400518,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002805934,"about_ca_topic_score_gemma":0.0000110534,"domain_scores_codex":[0.999483,0.000008692495,0.0001956332,0.0001562696,0.00007778365,0.00007860742],"domain_scores_gemma":[0.9991819,0.00000441851,0.0003356054,0.0003067127,0.0001391648,0.00003222826],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00003117729,0.00004666993,0.0003443883,0.00002405281,0.00003235641,1.847047e-7,0.00004092206,0.00007047738,0.9971469,0.000134242,0.00004674246,0.002081853],"study_design_scores_gemma":[0.0004476474,0.00007409656,0.0007351301,0.00002186771,0.00002562266,9.554086e-7,0.00003755269,0.0004138275,0.9977037,0.0002661132,0.0002001229,0.00007334663],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9977755,0.0003438896,0.001168681,0.000113116,0.0001239096,0.00009115712,0.00001523418,0.000003878029,0.000364649],"genre_scores_gemma":[0.9988161,0.0004067812,0.0003181048,0.00002804059,0.00006828015,0.00000624773,0.00006159339,0.00001136045,0.0002835004],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002008507,"threshold_uncertainty_score":0.3078407,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2156116283","doi":"10.1002/cmdc.201100194","title":"Antagonism of the Stat3–Stat3 Protein Dimer with Salicylic Acid Based Small Molecules","year":2011,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Cytokine Signaling Pathways and Interactions","field":"Medicine","cited_by":51,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Princess Margaret Cancer Centre; University Health Network; Amgen (Canada); Ontario Institute for Cancer Research; University of Toronto","funders":"National Cancer Institute","keywords":"Chemistry; STAT3; In vitro; Phosphorylation; SH2 domain; Biochemistry; Cancer research; Proto-oncogene tyrosine-protein kinase Src; Molecular biology; Cell biology; Biology","authors":[{"name":"Steven Fletcher","is_ca":true},{"name":"Brent D. G. Page","is_ca":true},{"name":"Xiaolei Zhang","is_ca":false},{"name":"Peibin Yue","is_ca":false},{"name":"Zhihua Li","is_ca":true},{"name":"Sumaiya Sharmeen","is_ca":true},{"name":"Jagdeep Singh","is_ca":true},{"name":"Wei Zhao","is_ca":false},{"name":"Aaron D. Schimmer","is_ca":true},{"name":"Suzanne Trudel","is_ca":true},{"name":"James Turkson","is_ca":true},{"name":"Patrick T. Gunning","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.04873381146787052,"gpt":0.2350674073738983,"spread":0.1863335959060278,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009041559,0.0001704985,0.000237606,0.00005447341,0.0000595937,0.000007293378,0.0001442812,0.00006611154,0.0003535201],"category_scores_gemma":[0.00006335034,0.0001019446,0.0001297189,0.000199776,0.0001760585,0.00003714742,0.00003720895,0.0002388492,0.00001610741],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003739231,"about_ca_system_score_gemma":0.0001990318,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001741764,"about_ca_topic_score_gemma":0.00001888002,"domain_scores_codex":[0.9990897,0.00002254351,0.0002352104,0.0002214101,0.0002051239,0.0002260234],"domain_scores_gemma":[0.9990953,0.00001998411,0.0001475162,0.0004841602,0.000147518,0.0001055868],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002331943,0.0002732477,0.0007830314,0.00009875517,0.0000676089,0.00001257678,0.0006452654,0.000001130651,0.9968319,0.0002918212,0.0003134315,0.0004480458],"study_design_scores_gemma":[0.001052016,0.0002985905,0.002065471,0.0002432066,0.00009506512,0.00002774212,0.00019704,0.0001138724,0.9935398,0.0000725952,0.002169311,0.000125333],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.983957,0.00008063594,0.001573064,0.0007842993,0.00007416151,0.0005466507,0.00002914195,0.00006109328,0.01289395],"genre_scores_gemma":[0.994317,0.000001922302,0.004446066,0.0005124218,0.00005969311,0.00006699176,0.00002111853,0.00003767785,0.0005370955],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01235685,"threshold_uncertainty_score":0.415718,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2048762907","doi":"10.1002/cmdc.200900288","title":"3,5‐Bis(benzylidene)‐4‐oxo‐1‐phosphonopiperidines and Related Diethyl Esters: Potent Cytotoxins with Multi‐Drug‐Resistance Reverting Properties","year":2009,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":51,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Saskatchewan","funders":"Canadian Institutes of Health Research","keywords":"Cytotoxicity; Stereochemistry; Chemistry; Reversion; Cell culture; Apoptosis; In vitro; Biochemistry; Biology","authors":[{"name":"Swagatika Das","is_ca":true},{"name":"Umashankar Das","is_ca":true},{"name":"Ponniah Selvakumar","is_ca":true},{"name":"Rajendra K. Sharma","is_ca":true},{"name":"Jan Balzarini","is_ca":false},{"name":"Erik De Clercq","is_ca":false},{"name":"Joséph Molnár","is_ca":false},{"name":"Julianna Serly","is_ca":false},{"name":"Zoltán Baráth","is_ca":false},{"name":"G. Schatte","is_ca":true},{"name":"Brian Bandy","is_ca":true},{"name":"Dennis K.J. Gorecki","is_ca":true},{"name":"Jonathan R. Dimmock","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01995849693572397,"gpt":0.2029555268616185,"spread":0.1829970299258945,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0001533232,0.0003978607,0.0004668843,0.00002486927,0.0002029885,0.0001079381,0.0002492119,0.0002185651,0.0001411942],"category_scores_gemma":[0.0003294863,0.0002568658,0.0001053619,0.0001468488,0.0002092385,0.0002283493,0.00008721738,0.0003122715,0.00001270794],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009829847,"about_ca_system_score_gemma":0.00003610793,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000370768,"about_ca_topic_score_gemma":0.00002614182,"domain_scores_codex":[0.998188,0.00002344562,0.0003862721,0.0006725332,0.0002295676,0.0005002172],"domain_scores_gemma":[0.9990048,0.0001017976,0.0002111524,0.0003962343,0.00009817324,0.0001878397],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001377262,0.0002491196,0.001893802,0.000145825,0.00005186995,0.00002754214,0.0004245815,0.000002213818,0.9891728,0.00001092763,0.0001860381,0.007697567],"study_design_scores_gemma":[0.0006455471,0.00003496517,0.006143786,0.0004571448,0.00003423767,0.00002007163,0.0005697741,0.0001158418,0.9906178,0.00008238186,0.0008078421,0.0004706166],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9904395,0.00234259,0.00001454077,0.00219417,0.00003084298,0.0001708552,0.000005830237,0.0002397062,0.004561906],"genre_scores_gemma":[0.9925174,0.0001635053,0.001462521,0.0002524032,0.00007958931,0.00005082435,0.000008929464,0.00002869761,0.005436142],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00722695,"threshold_uncertainty_score":0.9999884,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2151952542","doi":"10.1002/cmdc.201200129","title":"Identification of a 17β‐Hydroxysteroid Dehydrogenase Type 10 Steroidal Inhibitor: A Tool to Investigate the Role of Type 10 in Alzheimer’s Disease and Prostate Cancer","year":2012,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Hormonal Regulation and Hypertension","field":"Medicine","cited_by":51,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"Centre hospitalier de l'Université Laval","funders":"Canadian Institutes of Health Research","keywords":"Androsterone; Prostate cancer; Hydroxysteroid dehydrogenase; Disease; Dehydrogenase; Hydroxysteroid Dehydrogenases; Identification (biology); Cancer; Computational biology; Cancer research; NAD+ kinase; Enzyme; Biochemistry; Bioinformatics; Chemistry; Medicine; Biology; Internal medicine; Hormone; Steroid","authors":[{"name":"Diana Ayán","is_ca":true},{"name":"René Maltais","is_ca":false},{"name":"Donald Poirier","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.02865339525237528,"gpt":0.2845334616606841,"spread":0.2558800664083088,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002356566,0.0001117266,0.0002144331,0.00007692295,0.00002308009,0.000007141258,0.00005428995,0.00005282289,0.00006862165],"category_scores_gemma":[0.0001845183,0.00008076748,0.00003242244,0.0002734604,0.00009410731,0.00009487437,0.00005103937,0.00007239959,0.00002910804],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003499544,"about_ca_system_score_gemma":0.0001227694,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003465103,"about_ca_topic_score_gemma":0.00001168495,"domain_scores_codex":[0.9990833,0.00002495493,0.0003344897,0.0001553672,0.0002272738,0.0001746084],"domain_scores_gemma":[0.9991963,0.00002465038,0.0001192638,0.0002427765,0.0001913583,0.0002256775],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0008318347,0.0001223222,0.0220306,0.00006738387,0.00004646402,0.00000215081,0.001433021,0.000008494746,0.9688032,0.00003693089,0.000543133,0.00607448],"study_design_scores_gemma":[0.0006392294,0.00007713486,0.05452305,0.0001276126,0.0001563635,0.000005852892,0.0001408297,0.001071798,0.9381554,0.00005715702,0.004950148,0.00009549541],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9917121,0.006843245,4.775881e-7,0.0008016624,0.00005119928,0.0004632427,0.00001124725,0.00001137113,0.0001054713],"genre_scores_gemma":[0.9990798,0.00006680284,0.00003496508,0.0002081134,0.00007853429,0.00003227949,0.00002241995,0.00001786615,0.0004592715],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03249244,"threshold_uncertainty_score":0.3293602,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2807063100","doi":"10.1002/cmdc.201800193","title":"A DNA‐Encoded Library of Chemical Compounds Based on Common Scaffolding Structures Reveals the Impact of Ligand Geometry on Protein Recognition","year":2018,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":49,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Structural Genomics Consortium; University of Toronto","funders":"Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung; European Research Council; Wellcome Trust","keywords":"Chemical library; Ligand (biochemistry); Scaffold; Lysine; Chemistry; Moiety; Stereochemistry; DNA; Molecule; Chemical space; Drug discovery; Benzoic acid; Amino acid; Combinatorial chemistry; Biochemistry; Small molecule; Organic chemistry; Database; Receptor; Computer science","authors":[{"name":"Nicholas Favalli","is_ca":false},{"name":"Stefan Biendl","is_ca":false},{"name":"Marco Hartmann","is_ca":false},{"name":"Jacopo Piazzi","is_ca":false},{"name":"Filippo Sladojevich","is_ca":false},{"name":"S. Gräslund","is_ca":true},{"name":"Peter J. Brown","is_ca":true},{"name":"Katja Näreoja","is_ca":false},{"name":"H. Schüler","is_ca":false},{"name":"Jörg Scheuermann","is_ca":false},{"name":"Raphael M. Franzini","is_ca":false},{"name":"Dario Neri","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01512324143420944,"gpt":0.2601377691448588,"spread":0.2450145277106493,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001666898,0.0002082194,0.0003346587,0.00006360769,0.00004713,0.00001874717,0.0002984447,0.0002066862,0.000117147],"category_scores_gemma":[0.0001914766,0.0001366302,0.0003450171,0.0002670229,0.0002745777,0.000005637126,0.00008321273,0.0001123632,0.000003440068],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002131054,"about_ca_system_score_gemma":0.00004629521,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001428528,"about_ca_topic_score_gemma":4.685115e-7,"domain_scores_codex":[0.998878,0.00004781752,0.0003381414,0.0003150803,0.0002079534,0.0002130173],"domain_scores_gemma":[0.9990288,0.0000869908,0.0002526733,0.0004749606,0.00007346585,0.00008308385],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0003720865,0.0001673822,0.001161994,0.00004298866,0.00009939531,3.88608e-7,0.00001563567,0.000005037982,0.9944723,0.000009064085,0.001886582,0.001767125],"study_design_scores_gemma":[0.0004153167,0.0003641826,0.0007524503,0.0001514693,0.00003661821,0.000001506992,0.00001660518,0.0001992477,0.9971954,0.0006579327,0.0000473006,0.0001619293],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9970559,0.0000580567,0.000009878766,0.0001512255,0.00001404937,0.0001652351,0.00006963843,0.00001149936,0.002464534],"genre_scores_gemma":[0.9990041,0.000006998077,0.0002754536,0.0001462504,0.0002689548,0.00001525747,0.0002125162,0.00002691595,0.00004353162],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00272312,"threshold_uncertainty_score":0.5571617,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2018120507","doi":"10.1002/cmdc.201300462","title":"A Single Subexcitation‐Energy Electron Can Induce a Double‐Strand Break in DNA Modified by Platinum Chemotherapeutic Drugs","year":2013,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Radiation Therapy and Dosimetry","field":"Medicine","cited_by":49,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"Université de Sherbrooke","funders":"Canadian Institutes of Health Research","keywords":"Ionizing radiation; DNA; Platinum; Sensitization; Electron; Biophysics; Apoptosis; Cancer research; Chemistry; DNA damage; Cancer cell; Radiosensitizer; DNA repair; Radiation therapy; Cancer; Irradiation; Medicine; Biology; Biochemistry; Genetics; Physics; Immunology; Internal medicine","authors":[{"name":"Mohammad Rezaee","is_ca":true},{"name":"Elahe Alizadeh","is_ca":true},{"name":"Pierre Cloutier","is_ca":true},{"name":"Darel J. Hunting","is_ca":true},{"name":"Léon Sanche","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01540761377110658,"gpt":0.2433643933740445,"spread":0.2279567796029379,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001275865,0.000247056,0.0003548093,0.0001666929,0.0000522506,0.00004715391,0.0001199477,0.0002334469,0.0003790223],"category_scores_gemma":[0.00001986002,0.0002379813,0.00008324248,0.00051734,0.00007027962,0.0001585787,0.00001042091,0.0002524863,0.00003930283],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000275232,"about_ca_system_score_gemma":0.0001275865,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006886127,"about_ca_topic_score_gemma":0.00004362134,"domain_scores_codex":[0.9984993,0.00002668081,0.0003757561,0.0003590225,0.0002849171,0.0004543176],"domain_scores_gemma":[0.9992143,0.00008776741,0.0001202939,0.0002934291,0.00007910335,0.0002051266],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0003357777,0.0004374553,0.0005468029,0.00005105541,0.0000862064,0.000001991858,0.001850564,0.000005197188,0.9812443,0.0002584175,0.005553404,0.00962885],"study_design_scores_gemma":[0.006623952,0.0001434584,0.001475381,0.00004235235,0.00002659403,0.00001589389,0.0002098056,0.0003992593,0.9879879,0.0008523971,0.001973936,0.0002491081],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9817201,0.0005854967,0.0000893957,0.003757921,0.00005876268,0.0003751107,0.000004526276,0.00009393258,0.01331478],"genre_scores_gemma":[0.9922531,0.0000379132,0.00009361689,0.002856937,0.0001274481,0.0001211433,0.000145858,0.00005116339,0.00431279],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01053305,"threshold_uncertainty_score":0.9704594,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2041905260","doi":"10.1002/cmdc.200700008","title":"Pharmaceutical Strategy and Innovation: An Academics Perspective","year":2007,"lang":"en","type":"review","venue":"ChemMedChem","topic":"Pharmaceutical Economics and Policy","field":"Economics, Econometrics and Finance","cited_by":48,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Merck Canada Inc. (Canada); TransCanada (Canada)","funders":"","keywords":"Pharmaceutical industry; Business; Outsourcing; Context (archaeology); SAFER; Marketing; Productivity; Profit (economics); Perspective (graphical); Industrial organization; Economics; Computer science","authors":[{"name":"Ian R. Baxendale","is_ca":false},{"name":"John J. Hayward","is_ca":false},{"name":"Steven V. Ley","is_ca":false},{"name":"Geoffrey K. Tranmer","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.4698464303725707,"gpt":0.4730202975959993,"spread":0.003173867223428606,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0009703532,0.0005233366,0.001712987,0.0007773828,0.00009773986,0.0001307903,0.0004409,0.0008519802,0.0005081126],"category_scores_gemma":[0.0001436311,0.0005894715,0.0002183344,0.0009915499,0.0002508539,0.0002820668,0.0001621324,0.001360291,0.0005577935],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000480171,"about_ca_system_score_gemma":0.0001443765,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001466173,"about_ca_topic_score_gemma":0.000001104024,"domain_scores_codex":[0.9970077,0.00001981773,0.001401403,0.0009169854,0.00004026501,0.0006138723],"domain_scores_gemma":[0.9984171,0.0001441353,0.0006141398,0.0003908431,0.00006850893,0.0003652459],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"not_applicable","study_design_scores_codex":[0.000003937186,0.00005259683,0.000006468757,0.001170473,0.0001136844,0.000004853607,0.00007598261,1.558901e-7,3.996268e-7,0.6815034,0.0006790957,0.316389],"study_design_scores_gemma":[0.0003019101,0.00002973971,0.000002360242,0.0002027496,0.00007490225,0.00004839712,0.00004075273,0.0001472714,0.00004539837,0.03461422,0.9638713,0.000621014],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.00006221116,0.872184,0.0000696952,0.0002634365,0.0002311432,0.0003658425,0.0003015043,0.00005551689,0.1264666],"genre_scores_gemma":[0.0001575747,0.9959088,0.0001729105,0.001537866,0.001042721,0.00004672223,0.0001352608,0.0000983252,0.000899835],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.9631922,"threshold_uncertainty_score":0.9996557,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2101612703","doi":"10.1002/cmdc.201402032","title":"Binding to Large Enzyme Pockets: Small‐Molecule Inhibitors of Trypanothione Reductase","year":2014,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Research on Leishmaniasis Studies","field":"Medicine","cited_by":47,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Toronto; Canada Research Chairs; University Health Network; University of New Brunswick","funders":"National Research Council Canada; Canadian Institutes of Health Research; National Science Council; Canada Research Chairs; Deutsche Forschungsgemeinschaft; University of Saskatchewan","keywords":"Trypanosoma brucei; Binding site; Docking (animal); Small molecule; Chemistry; Active site; Ligand (biochemistry); Biochemistry; Stereochemistry; Enzyme; Plasma protein binding; Protein structure; Biology; Receptor","authors":[{"name":"Elke Persch","is_ca":false},{"name":"S. Bryson","is_ca":true},{"name":"Nickolay Todoroff","is_ca":false},{"name":"Christian Eberle","is_ca":false},{"name":"Jonas Thelemann","is_ca":false},{"name":"Natalie Dirdjaja","is_ca":false},{"name":"Marcel Kaiser","is_ca":false},{"name":"Maria Weber","is_ca":false},{"name":"Hassan Derbani","is_ca":false},{"name":"Reto Brun","is_ca":true},{"name":"Gisbert Schneider","is_ca":true},{"name":"E.F. Pai","is_ca":true},{"name":"R. Luise Krauth‐Siegel","is_ca":true},{"name":"François Diederich","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.03009356430717881,"gpt":0.2995158574950673,"spread":0.2694222931878885,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005411109,0.0002246597,0.0005374337,0.0002604833,0.00009495827,0.00001604061,0.0001952166,0.0001210069,0.0001723609],"category_scores_gemma":[0.001500211,0.000199834,0.0001509573,0.0005617539,0.0001113785,0.00005486309,0.0002469837,0.0002804425,0.0002062616],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001355298,"about_ca_system_score_gemma":0.0001037012,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003215509,"about_ca_topic_score_gemma":0.00001280893,"domain_scores_codex":[0.9979622,0.00005229846,0.0004203633,0.0004232476,0.0005285063,0.0006133592],"domain_scores_gemma":[0.998559,0.0001180256,0.0001109481,0.0005679245,0.0002489769,0.0003951492],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001126207,0.0002871092,0.002836339,0.0002486615,0.000104386,0.00002368222,0.0009535991,2.557195e-7,0.9558828,0.0002546899,0.03618289,0.00311291],"study_design_scores_gemma":[0.001564852,0.0003070283,0.001715975,0.0002457272,0.00004438035,0.00001858084,0.0008103593,0.00001406107,0.9811481,0.00003037058,0.01392096,0.0001796469],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9854459,0.0002914706,0.0001642745,0.004667589,0.000132976,0.0004705048,0.00001588682,0.00008913107,0.008722231],"genre_scores_gemma":[0.9959864,0.00004141043,0.001278733,0.0006247314,0.0003852338,0.00006130082,0.00003105267,0.00005202972,0.001539111],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0252652,"threshold_uncertainty_score":0.8148993,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2986668917","doi":"10.1002/cmdc.201900465","title":"Proline‐Rich Peptides with Improved Antimicrobial Activity against <i>E. coli</i>, <i>K. pneumoniae</i>, and <i>A. baumannii</i>","year":2019,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Antimicrobial Peptides and Activities","field":"Immunology and Microbiology","cited_by":46,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"","funders":"Institute of Infection and Immunity; Università degli Studi di Trieste","keywords":"Antimicrobial; Antimicrobial peptides; Cytotoxicity; Mode of action; Proline; Chemistry; Biochemistry; Microbiology; Bacteria; Amino acid; Biology; In vitro","authors":[{"name":"Mario Mardirossian","is_ca":false},{"name":"Riccardo Sola","is_ca":false},{"name":"Bertrand Beckert","is_ca":false},{"name":"Dominic W. P. Collis","is_ca":false},{"name":"Adriana Di Stasi","is_ca":false},{"name":"Federica Armas","is_ca":false},{"name":"Kai Hilpert","is_ca":false},{"name":"Daniel N. Wilson","is_ca":false},{"name":"Marco Scocchi","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.006053815571935379,"gpt":0.1942075568397547,"spread":0.1881537412678193,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0001778267,0.0004907465,0.0006416111,0.00008933715,0.000263808,0.00007797362,0.0002725482,0.0003561594,0.0001128747],"category_scores_gemma":[0.00001962428,0.0004053437,0.0001130872,0.0001928803,0.0005246491,0.0003840083,0.0002129648,0.000580506,0.0003064737],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005463937,"about_ca_system_score_gemma":0.0001177608,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005371291,"about_ca_topic_score_gemma":0.00002250825,"domain_scores_codex":[0.9980886,0.00006483094,0.0002891888,0.000743215,0.00005937216,0.000754797],"domain_scores_gemma":[0.9990091,0.0001192518,0.000231577,0.0004605662,0.0001118517,0.00006765132],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0004199286,0.0002066088,0.003268237,0.0001536072,0.0001698279,0.000006638063,0.000299967,0.000005100867,0.9869167,0.00004277735,0.00693031,0.001580266],"study_design_scores_gemma":[0.002433358,0.0002440951,0.001257628,0.0001260083,0.00005214566,0.0001410077,0.0001912062,0.00001750138,0.9826189,0.00001282458,0.0123213,0.0005840337],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9899744,0.0002902595,0.00003778836,0.0007501399,0.0003369339,0.0007052121,0.0000760277,0.0002002541,0.00762899],"genre_scores_gemma":[0.9888588,0.0001728466,0.0002311001,0.001274428,0.00008700507,0.00003333878,0.000103477,0.00007160168,0.009167457],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005390991,"threshold_uncertainty_score":0.9998398,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2102227937","doi":"10.1002/cmdc.200800050","title":"Nonpeptidic Vinyl and Allyl Phosphonates as Falcipain‐2 Inhibitors","year":2008,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Synthesis and Reactivity of Heterocycles","field":"Chemistry","cited_by":46,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"","funders":"Indigenous and Northern Affairs Canada","keywords":"Cysteine protease; Cysteine; Chemistry; Stereochemistry; Enzyme; Protease; Enzyme inhibitor; Combinatorial chemistry; Biochemistry","authors":[{"name":"Roberta Ettari","is_ca":false},{"name":"Emanuela Nizi","is_ca":false},{"name":"Maria Emilia Di Francesco","is_ca":false},{"name":"Nicola Micale","is_ca":false},{"name":"Silvana Grasso","is_ca":false},{"name":"Maria Zappalà","is_ca":false},{"name":"Radim Vičík","is_ca":false},{"name":"Tanja Schirmeister","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01342293086868059,"gpt":0.2100451813010931,"spread":0.1966222504324125,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008949018,0.0002671111,0.0003031533,0.00004111634,0.0002195607,0.00002865621,0.0001790899,0.0002198858,0.0007825313],"category_scores_gemma":[0.0001252202,0.0002397445,0.0001314696,0.00006241955,0.0003171856,0.0001383761,0.0001127673,0.000224422,0.0001613834],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005324198,"about_ca_system_score_gemma":0.00004257196,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001411988,"about_ca_topic_score_gemma":0.00000739227,"domain_scores_codex":[0.998685,0.000007522922,0.0002276505,0.0004247986,0.0002774252,0.0003776107],"domain_scores_gemma":[0.9991533,0.0001944213,0.00009825161,0.0003135304,0.00003233804,0.0002081399],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00002921284,0.0001560587,0.00624952,0.00009130583,0.00006541931,0.00006958518,0.0008811567,2.704347e-7,0.9730429,0.00002203437,0.004244832,0.01514769],"study_design_scores_gemma":[0.000405409,0.00001226889,0.001189783,0.0000758953,0.00001766448,0.0002097125,0.0003858708,0.00002171735,0.9756733,0.0001878118,0.02151212,0.0003084126],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9601955,0.001514621,0.00000267154,0.0004811976,0.00006635226,0.0000432116,0.000004846919,0.000159778,0.03753181],"genre_scores_gemma":[0.9957217,0.0005844783,0.0002209248,0.0001657996,0.000276056,0.00002158467,0.00001192093,0.00004492557,0.002952589],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03552621,"threshold_uncertainty_score":0.9776495,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2041157986","doi":"10.1002/cmdc.200700002","title":"Overcoming Tumor Drug Resistance with High‐Affinity Taxanes: A SAR Study of C2‐Modified 7‐Acyl‐10‐Deacetyl Cephalomannines","year":2007,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Cancer Treatment and Pharmacology","field":"Medicine","cited_by":45,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Guelph","funders":"","keywords":"Taxoid; Taxane; Paclitaxel; Drug; Drug resistance; Chemistry; Tubulin; Pharmacology; Drug discovery; Stereochemistry; Biology; Biochemistry; Microtubule; Microbiology; Cancer; Cell biology; Genetics","authors":[{"name":"Chun‐Gang Yang","is_ca":false},{"name":"Isabel Barasoaı́n","is_ca":false},{"name":"Xuan Li","is_ca":false},{"name":"Ruth Matesanz","is_ca":false},{"name":"Ronghua Liu","is_ca":true},{"name":"Frances J. Sharom","is_ca":true},{"name":"Dali Yin","is_ca":false},{"name":"J. Fernando Dı́az","is_ca":false},{"name":"Wei‐Shuo Fang","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.02507772743041497,"gpt":0.3062801525452467,"spread":0.2812024251148317,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0003622885,0.0003179517,0.0006774729,0.0001372233,0.00009541474,0.00001001058,0.0001667406,0.00007193721,0.0003354224],"category_scores_gemma":[0.00006446077,0.0002553271,0.00009187843,0.000432781,0.0001616942,0.00008826406,0.00005858915,0.0002468775,0.00001731914],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000195062,"about_ca_system_score_gemma":0.0001318049,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003380583,"about_ca_topic_score_gemma":0.0006281374,"domain_scores_codex":[0.9981958,0.00003508935,0.0004689642,0.0004539214,0.0003956503,0.0004505533],"domain_scores_gemma":[0.9985691,0.0002534473,0.0003019574,0.0004690854,0.0001970693,0.0002093877],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.05811541,0.02268568,0.1441246,0.002395532,0.003146516,0.003913363,0.02785191,0.00002495673,0.6490662,0.0004543514,0.08527788,0.002943682],"study_design_scores_gemma":[0.01662224,0.001097718,0.04728921,0.0001953122,0.0006389691,0.0000485878,0.002717988,0.00000487651,0.9219196,0.00003486633,0.009084613,0.000345992],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9878377,0.0005662365,0.00001570104,0.0004481076,0.0001415435,0.000852501,0.000009878001,0.0001038676,0.01002451],"genre_scores_gemma":[0.988981,0.00001492287,0.0007327751,0.0002623604,0.0002998358,0.00004109353,0.00003226051,0.00004460461,0.009591161],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2728535,"threshold_uncertainty_score":0.9999899,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2147415910","doi":"10.1002/cmdc.200700094","title":"Naphthyl Tetronic Acids as Multi‐Target Inhibitors of Bacterial Peptidoglycan Biosynthesis","year":2007,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Bacterial Genetics and Biotechnology","field":"Biochemistry, Genetics and Molecular Biology","cited_by":43,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Women's Health Research Institute","funders":"","keywords":"Peptidoglycan; Biosynthesis; Chemistry; Biochemistry; Enzyme; Peptide; Stereochemistry; IC50; Escherichia coli; Combinatorial chemistry; In vitro; Gene","authors":[{"name":"Tarek S. Mansour","is_ca":true},{"name":"Craig E. Caufield","is_ca":false},{"name":"Beth A. Rasmussen","is_ca":false},{"name":"Rajiv Chopra","is_ca":false},{"name":"Girija Krishnamurthy","is_ca":false},{"name":"Koi Morris","is_ca":false},{"name":"Kristine Svenson","is_ca":false},{"name":"Joel Bard","is_ca":false},{"name":"Claudia Smeltzer","is_ca":false},{"name":"Shaughnessy Naughton","is_ca":false},{"name":"Schuyler Antane","is_ca":false},{"name":"Youjun Yang","is_ca":false},{"name":"Anatoly Severin","is_ca":false},{"name":"Dominick Quagliato","is_ca":false},{"name":"Peter J. Petersen","is_ca":false},{"name":"Guy Singh","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.008021629784548444,"gpt":0.2357026424017273,"spread":0.2276810126171789,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0003223845,0.0002699244,0.0002911192,0.0001011562,0.0000551335,0.00001482703,0.0003691733,0.0006412018,0.0001704043],"category_scores_gemma":[0.0001861586,0.0002578796,0.0001806414,0.0001785006,0.0003048643,0.000003485979,0.0002428016,0.0001462752,0.00002790428],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003158882,"about_ca_system_score_gemma":0.0001291917,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002327408,"about_ca_topic_score_gemma":0.00004169684,"domain_scores_codex":[0.9984114,0.00002088907,0.0004312255,0.0004735442,0.0001486234,0.0005142914],"domain_scores_gemma":[0.9990153,0.00001656044,0.0001882098,0.0005308288,0.0001052347,0.0001439101],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002057268,0.0001382141,0.0011462,0.00002391553,0.00006940767,0.000004138346,0.00003766608,4.241113e-7,0.9929234,0.00003204192,0.0004453422,0.004973551],"study_design_scores_gemma":[0.0007359586,0.0003490162,0.001290064,0.00001540452,0.00001974273,0.00001961438,0.0001197052,0.000002385588,0.9421021,0.0000403236,0.05502447,0.0002812067],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9974073,0.0003807156,0.0001963454,0.0001716085,0.0005406579,0.0001717714,0.00003517712,0.00003037923,0.001066085],"genre_scores_gemma":[0.9944548,0.0001275832,0.003974453,0.00008331695,0.0006825598,0.00000810469,0.0001535143,0.00004443097,0.0004712615],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05457913,"threshold_uncertainty_score":0.9999874,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2126297234","doi":"10.1002/cmdc.200800424","title":"Surface‐Functionalized Ultrasmall Superparamagnetic Nanoparticles as Magnetic Delivery Vectors for Camptothecin","year":2009,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Nanoparticle-Based Drug Delivery","field":"Materials Science","cited_by":43,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Université de Montréal","funders":"","keywords":"Camptothecin; Linker; Drug delivery; Biophysics; Iron oxide nanoparticles; Chemistry; Nanoparticle; Targeted drug delivery; Conjugate; Nanotechnology; Magnetic nanoparticles; Materials science; Biochemistry; Biology","authors":[{"name":"Feride Cengelli","is_ca":false},{"name":"Justyna A. Grzyb","is_ca":true},{"name":"Auxia Montoro","is_ca":false},{"name":"Heinrich Hofmann","is_ca":false},{"name":"Stephen Hanessian","is_ca":true},{"name":"Lucienne Juillerat‐Jeanneret","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01639230823406949,"gpt":0.237605794905612,"spread":0.2212134866715425,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":["insufficient_payload"],"category_scores_codex":[0.0005225934,0.0003913678,0.0004312266,0.00007879955,0.0002308272,0.0001545285,0.0004605539,0.0001638683,0.003626027],"category_scores_gemma":[0.0003373851,0.0003775204,0.0001948553,0.0003349833,0.0002273796,0.0003076172,0.00004607217,0.0001322791,0.001396516],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001673324,"about_ca_system_score_gemma":0.0002088865,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00007434385,"about_ca_topic_score_gemma":0.0000129219,"domain_scores_codex":[0.9972169,0.00008864424,0.0005623162,0.0007286808,0.0004954289,0.0009079758],"domain_scores_gemma":[0.9981748,0.0005044031,0.0001248972,0.0006028038,0.0002467837,0.0003463214],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0004261986,0.0003151567,0.000232209,0.00002988523,0.000008140206,0.00001258199,0.0002218634,0.000301372,0.9932681,0.0005885745,0.002556309,0.002039572],"study_design_scores_gemma":[0.002295339,0.0007150106,0.0009183851,0.00003443211,0.00007898753,0.00003103202,0.0001390509,0.0005845198,0.9890949,0.001791286,0.003835679,0.0004813932],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9949263,0.00133313,0.00007353259,0.001040839,0.0004684769,0.0007057764,0.00004238105,0.0003537509,0.001055751],"genre_scores_gemma":[0.9919935,0.00003227128,0.003898397,0.001245691,0.0001916233,0.00007180024,0.00003064158,0.00005063602,0.002485436],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004173253,"threshold_uncertainty_score":0.9998677,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2072921716","doi":"10.1002/cmdc.201100453","title":"Platinum(II) Phenanthroimidazoles for Targeting Telomeric G‐Quadruplexes","year":2011,"lang":"en","type":"article","venue":"ChemMedChem","topic":"DNA and Nucleic Acid Chemistry","field":"Biochemistry, Genetics and Molecular Biology","cited_by":42,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"Jewish General Hospital; McGill University","funders":"Canadian Institutes of Health Research","keywords":"Telomerase; Telomere; G-quadruplex; Circular dichroism; DNA; Chemistry; Intramolecular force; Cytotoxic T cell; Fluorescence; Molecular biology; Cancer cell; Stereochemistry; Biology; Cancer; Cancer research; Biochemistry; Gene; Genetics; In vitro","authors":[{"name":"Katherine Castor","is_ca":true},{"name":"Johanna Mancini","is_ca":true},{"name":"Johans Fakhoury","is_ca":true},{"name":"Nathanaël Weill","is_ca":true},{"name":"Roxanne E. Kieltyka","is_ca":true},{"name":"Pablo Englebienne","is_ca":true},{"name":"Nicole Avakyan","is_ca":true},{"name":"Anthony Mittermaier","is_ca":true},{"name":"Chantal Autexier","is_ca":true},{"name":"Nicolas Moitessier","is_ca":true},{"name":"Hanadi F. Sleiman","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.02320821153945999,"gpt":0.2384598970519552,"spread":0.2152516855124953,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001237419,0.0002318263,0.0001908878,0.00001989637,0.0001819369,0.00001141097,0.0002959521,0.0002025811,0.000146857],"category_scores_gemma":[0.0001389015,0.0002194022,0.0001544638,0.0000572634,0.000154694,0.000005474395,0.0001734964,0.00008454864,0.00001313184],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001300837,"about_ca_system_score_gemma":0.00004659275,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000005928342,"about_ca_topic_score_gemma":0.000001289286,"domain_scores_codex":[0.9987987,0.00000680657,0.0002498257,0.0004302227,0.000101439,0.0004129698],"domain_scores_gemma":[0.999329,0.00001255948,0.0001180326,0.0003416189,0.00007958875,0.000119147],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00008364135,0.00009047477,0.000609194,0.0000564732,0.00005093979,0.0000014741,0.000282912,6.182108e-7,0.9825951,0.00004868117,0.01401175,0.002168692],"study_design_scores_gemma":[0.0005738195,0.00009903414,0.0001719791,0.0000127031,0.00002276176,0.000008822564,0.0003468024,0.00002764287,0.9636262,0.0003217208,0.03448357,0.0003049402],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9820343,0.0005602509,0.0007005825,0.00007639812,0.0001634966,0.0001702315,0.00002547945,0.00005191557,0.01621734],"genre_scores_gemma":[0.9889314,0.00007033967,0.008436784,0.0002002025,0.0005240309,0.00008042793,0.0002370098,0.00005389121,0.001465895],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02047182,"threshold_uncertainty_score":0.8946961,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2054099595","doi":"10.1002/cmdc.201300355","title":"Fluorophore‐Labeled Cyclooxygenase‐2 Inhibitors for the Imaging of Cyclooxygenase‐2 Overexpression in Cancer: Synthesis and Biological Studies","year":2013,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Inflammatory mediators and NSAID effects","field":"Medicine","cited_by":42,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Alberta","funders":"Canadian Institutes of Health Research; Alberta Cancer Foundation","keywords":"Cyclooxygenase; Chemistry; Celecoxib; Fluorophore; Conjugate; Naproxen; In vitro; Enzyme; Cancer; Etodolac; Fluorescence; Pharmacology; Biochemistry; Stereochemistry; Medicine; Pathology; Internal medicine","authors":[{"name":"Atul Bhardwaj","is_ca":true},{"name":"Jatinder Kaur","is_ca":true},{"name":"Frank Wuest","is_ca":true},{"name":"Edward E. Knaus","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.03143454628152326,"gpt":0.3032597648714837,"spread":0.2718252185899604,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003902498,0.0002333117,0.000537009,0.00008325408,0.00009152228,0.00001076892,0.00008593362,0.0001169899,0.00005197905],"category_scores_gemma":[0.001246224,0.0001318889,0.000109795,0.0001565168,0.0002921104,0.00007428764,0.00009618418,0.0001685923,0.000004691065],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009008657,"about_ca_system_score_gemma":0.00006836229,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001437127,"about_ca_topic_score_gemma":0.000008131272,"domain_scores_codex":[0.998705,0.00004490017,0.0003937577,0.0003163774,0.0001809891,0.0003589543],"domain_scores_gemma":[0.9978797,0.001439504,0.000150138,0.0002615261,0.000146187,0.000122949],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002095482,0.0001126649,0.04470673,0.0008491879,0.0001212144,0.00001312033,0.0007532567,0.000002346779,0.9288489,0.0000334718,0.007397082,0.01695254],"study_design_scores_gemma":[0.001278861,0.0000681993,0.02937262,0.001055616,0.0000638549,0.00001069025,0.001073766,0.0006485684,0.9658047,0.0001183751,0.0003453912,0.000159377],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9859942,0.01138588,0.000004651821,0.001224951,0.0001694545,0.001115041,0.00001126453,0.00003264525,0.00006190567],"genre_scores_gemma":[0.9957039,0.002343786,0.000240024,0.0002324677,0.0003488039,0.001060127,0.000004141453,0.00002645987,0.00004024031],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03695584,"threshold_uncertainty_score":0.5378272,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2969359604","doi":"10.1002/cmdc.201900428","title":"Targeting an EGFR Water Network with 4‐Anilinoquin(az)oline Inhibitors for Chordoma","year":2019,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Melanoma and MAPK Pathways","field":"Biochemistry, Genetics and Molecular Biology","cited_by":41,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"","funders":"UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill; China Scholarship Council; Novartis Pharma; University of North Carolina at Chapel Hill; Ministero dello Sviluppo Economico; Genome Canada; Fundação de Amparo à Pesquisa do Estado de São Paulo; European Federation of Pharmaceutical Industries and Associations; Merck KGaA; Ontario Ministry of Economic Development and Innovation; Engineering and Physical Sciences Research Council; Pfizer","keywords":"EGFR inhibitors; Epidermal growth factor receptor; Quinazoline; Chemistry; IC50; Cancer research; Amine gas treating; Chordoma; Stereochemistry; Biology; Biochemistry; Receptor; In vitro; Medicine","authors":[{"name":"Christopher R. M. Asquith","is_ca":false},{"name":"Kaitlyn Maffuid","is_ca":false},{"name":"Tuomo Laitinen","is_ca":false},{"name":"Chad Torrice","is_ca":false},{"name":"Graham J. Tizzard","is_ca":false},{"name":"Daniel J. Crona","is_ca":false},{"name":"William J. Zuercher","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.006594312264942149,"gpt":0.2116794800372793,"spread":0.2050851677723371,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002482929,0.0002409185,0.0002243298,0.00001924726,0.0000871644,0.00002750374,0.0002083791,0.0002200231,0.00006883431],"category_scores_gemma":[0.00002071054,0.0001712254,0.00008906897,0.00005206545,0.00004817598,0.000008724644,0.00009483918,0.0001014912,0.0000458473],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001557756,"about_ca_system_score_gemma":0.00004776357,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000005535486,"about_ca_topic_score_gemma":0.000009047129,"domain_scores_codex":[0.998549,0.00002021567,0.0002290297,0.0005197703,0.0001218952,0.0005600873],"domain_scores_gemma":[0.9992293,0.00001143088,0.00006895462,0.0004292452,0.0001079726,0.0001530812],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002518038,0.00005600465,0.004027613,0.00006028428,0.00004302839,0.000002603188,0.00007916804,0.0002017252,0.9884455,0.00006361848,0.006224786,0.0005438995],"study_design_scores_gemma":[0.001115652,0.0006580807,0.0001039173,0.0000180029,0.00001936317,0.00001156017,0.00008397774,0.0002309138,0.9124828,0.00007238219,0.08490086,0.0003024707],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9959933,0.0002327282,0.0009707841,0.000123694,0.0003765135,0.000485271,0.00001176107,0.00003742762,0.00176855],"genre_scores_gemma":[0.9904866,0.00001405579,0.003641338,0.0004041577,0.002270103,0.0000778235,0.001112582,0.00006505197,0.001928241],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.07867607,"threshold_uncertainty_score":0.6982369,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2008256945","doi":"10.1002/cmdc.200700113","title":"Crystal Structure of the Bacterial Ribosomal Decoding Site Complexed with a Synthetic Doubly Functionalized Paromomycin Derivative: a New Specific Binding Mode to an A‐Minor Motif Enhances in vitro Antibacterial Activity","year":2007,"lang":"en","type":"article","venue":"ChemMedChem","topic":"RNA and protein synthesis mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":39,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Université de Montréal; Université du Québec à Montréal","funders":"","keywords":"Ribosome; Paromomycin; Transfer RNA; Stereochemistry; Binding site; A-site; Chemistry; Biology; RNA; Biochemistry; Aminoglycoside; Antibiotics","authors":[{"name":"Jiro Kondo","is_ca":false},{"name":"Kandasamy Pachamuthu","is_ca":true},{"name":"Boris François","is_ca":false},{"name":"Janek Szychowski","is_ca":true},{"name":"Stephen Hanessian","is_ca":true},{"name":"Éric Westhof","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01682042382769923,"gpt":0.2526340934369309,"spread":0.2358136696092317,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002136032,0.0002902931,0.0003474778,0.00007823073,0.0001079479,0.00004886456,0.0003084154,0.00019563,0.0001539629],"category_scores_gemma":[0.0000637124,0.0002202561,0.00009624356,0.0002354842,0.00009800712,0.00002339155,0.0001258168,0.0001260367,0.00000165928],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005191602,"about_ca_system_score_gemma":0.0001261439,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00007242723,"about_ca_topic_score_gemma":0.000246237,"domain_scores_codex":[0.9984016,0.00009559992,0.0003089861,0.0005265096,0.0002539774,0.0004133151],"domain_scores_gemma":[0.9991035,0.00004362603,0.0002202119,0.0004104966,0.00006043377,0.000161681],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.006376449,0.00007898863,0.0003621585,0.00002347643,0.00003925299,0.000002829403,0.0002908718,0.00001626441,0.9897537,0.00001386522,0.00001535919,0.00302682],"study_design_scores_gemma":[0.001603109,0.0001786756,0.003595622,0.00006343821,0.00001716018,0.00002183533,0.00008028612,0.00001145972,0.9935137,0.00005042315,0.0005855914,0.0002787091],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9935563,0.00002194282,0.005403886,0.00006402281,0.0002829813,0.0004933837,0.00009529519,0.00001308595,0.0000690817],"genre_scores_gemma":[0.9926658,0.000003445059,0.006573828,0.00002863028,0.0005067644,0.00001020939,0.00009909505,0.00003564541,0.00007662625],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004773341,"threshold_uncertainty_score":0.8981782,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2036998298","doi":"10.1002/cmdc.201000355","title":"Development of Specific “Drug‐Like Property” Rules for Carboxylate‐Containing Oral Drug Candidates","year":2010,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":37,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Boehringer Ingelheim (Canada)","funders":"","keywords":"Pharmacophore; Moiety; Carboxylate; Drug; Chemistry; Drug discovery; Combinatorial chemistry; Stereochemistry; Chemical space; Hydrogen bond; Molecule; Organic chemistry; Pharmacology; Medicine; Biochemistry","authors":[{"name":"Alexander Böcker","is_ca":false},{"name":"Pierre Bonneau","is_ca":true},{"name":"Oliver Hucke","is_ca":true},{"name":"Araz Jakalian","is_ca":true},{"name":"Paul Edwards","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.03402499888362777,"gpt":0.287570900706794,"spread":0.2535459018231662,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0008873981,0.0002200067,0.0003034702,0.0001123347,0.0001372692,0.0001009579,0.0009183374,0.00005734328,0.00001672833],"category_scores_gemma":[0.00008801615,0.0001714996,0.00009594616,0.000237606,0.00009055872,0.0003254028,0.0003439951,0.0001982287,0.00002007582],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006767884,"about_ca_system_score_gemma":0.0004606021,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002777253,"about_ca_topic_score_gemma":0.0000555775,"domain_scores_codex":[0.9983138,0.00003462873,0.0004501806,0.0004938833,0.0003351177,0.0003723729],"domain_scores_gemma":[0.9987122,0.0003170024,0.0001773961,0.0004583651,0.0002066767,0.0001283374],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001676032,0.0004429059,0.001396634,0.0003689322,0.0002079893,0.00001485689,0.02689081,0.0004329148,0.4356653,0.04497231,0.01232331,0.4771164],"study_design_scores_gemma":[0.0005554782,0.0000136676,0.0007470092,0.0000371916,0.00000629507,0.000007853682,0.0001469766,0.02092299,0.9204865,0.002978737,0.05378237,0.0003149679],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"methods","genre_scores_codex":[0.9087638,0.0001571002,0.08778572,0.0005208491,0.0008909408,0.0003969683,0.000009528135,0.0001218379,0.001353302],"genre_scores_gemma":[0.4748621,0.000002192248,0.5244769,0.00005882704,0.00008222394,0.00006008635,0.00002583295,0.00001690437,0.0004149167],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.4848212,"threshold_uncertainty_score":0.6993552,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1993627154","doi":"10.1002/cmdc.200600203","title":"Structure‐Based Organic Synthesis of Drug Prototypes: A Personal Odyssey","year":2006,"lang":"en","type":"review","venue":"ChemMedChem","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":36,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Université de Montréal","funders":"","keywords":"Drug; Chemistry; Combinatorial chemistry; Stereochemistry; Pharmacology; Medicine","authors":[{"name":"Stephen Hanessian","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.0135609280219747,"gpt":0.2666144651283319,"spread":0.2530535371063572,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0001517514,0.0005837977,0.001595706,0.00009355941,0.00004966243,0.00002334342,0.0005299888,0.0006043135,0.0004328983],"category_scores_gemma":[0.0002659749,0.0004652328,0.001216187,0.000326241,0.0001642517,0.000002130839,0.0001264864,0.0002424196,0.0000149561],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006124936,"about_ca_system_score_gemma":0.0003803933,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003062955,"about_ca_topic_score_gemma":0.00002511629,"domain_scores_codex":[0.9978231,0.00007981136,0.0006857607,0.000750767,0.0002931983,0.0003673742],"domain_scores_gemma":[0.9985109,0.0001061157,0.0005223538,0.0006274373,0.0001065134,0.0001266804],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0000448039,0.0004588501,0.0000539759,0.03590362,0.001481917,0.00001036851,0.00002172704,7.772258e-7,0.2874048,0.00000841664,0.01124327,0.6633675],"study_design_scores_gemma":[0.00008302672,0.00001149736,7.36552e-7,0.0012691,0.00078643,0.000005547982,0.000004418579,0.00000439223,0.5466827,0.000006005971,0.4508003,0.0003458814],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.002075715,0.9961755,0.00003458084,0.00002632953,0.00003906103,0.0005348504,0.0002885538,0.0000201819,0.0008052228],"genre_scores_gemma":[0.01736802,0.9782388,0.0006004252,0.00005077603,0.0007740369,0.0003179496,0.001404019,0.0001913024,0.001054672],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.6630216,"threshold_uncertainty_score":0.9997799,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2588918676","doi":"10.1002/cmdc.201700021","title":"Synthesis of 5α,8α‐Ergosterol Peroxide 3‐Carbamate Derivatives and a Fluorescent Mitochondria‐Targeting Conjugate for Enhanced Anticancer Activities","year":2017,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Synthetic Organic Chemistry Methods","field":"Chemistry","cited_by":34,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Toronto","funders":"","keywords":"Conjugate; Chemistry; Carbamate; In vitro; Trypan blue; Coumarin; Stereochemistry; Biochemistry; Organic chemistry","authors":[{"name":"Ming Bu","is_ca":false},{"name":"Tingting Cao","is_ca":false},{"name":"Hongxia Li","is_ca":false},{"name":"Mingzhou Guo","is_ca":false},{"name":"Burton B. Yang","is_ca":true},{"name":"Cheng‐Chu Zeng","is_ca":false},{"name":"Liming Hu","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01994796581918762,"gpt":0.2928703282643149,"spread":0.2729223624451272,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.000348321,0.0004072623,0.0007389504,0.00003025992,0.0003273452,0.000117641,0.0005820577,0.0002420215,0.0003454092],"category_scores_gemma":[0.00388476,0.0004024892,0.0001817216,0.00003541822,0.0007017838,0.000202009,0.0003041119,0.0001967791,0.000002071692],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001001975,"about_ca_system_score_gemma":0.00009267101,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002423997,"about_ca_topic_score_gemma":0.000003122675,"domain_scores_codex":[0.997988,0.00002666448,0.0005224784,0.0006504462,0.0002744241,0.0005379968],"domain_scores_gemma":[0.996864,0.001179747,0.0006793329,0.0009831768,0.0001245439,0.0001692273],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001897455,0.00006790882,0.0005586756,0.00135536,0.0001698673,0.000002106036,0.0008491242,2.674672e-7,0.9883597,0.00002435616,0.0001194082,0.008303519],"study_design_scores_gemma":[0.0009998772,0.00001380446,0.0002151318,0.0005479279,0.0001307313,0.000007469392,0.001370103,0.0001074758,0.9956365,0.0002193597,0.0003470556,0.00040459],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9930701,0.0002958831,0.000768236,0.0004036762,0.0001484727,0.0002045931,0.00009694498,0.00008280739,0.00492926],"genre_scores_gemma":[0.982179,0.0001831148,0.0164339,0.00002519414,0.0003107221,0.0002088329,0.000007987055,0.00008641302,0.0005647868],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01566566,"threshold_uncertainty_score":0.9998427,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W3173460303","doi":"10.1002/cmdc.202100432","title":"Development of LM98, a Small‐Molecule TEAD Inhibitor Derived from Flufenamic Acid","year":2021,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Hippo pathway signaling and YAP/TAZ","field":"Biochemistry, Genetics and Molecular Biology","cited_by":33,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Structural Genomics Consortium; Institut National de la Recherche Scientifique; University of Toronto; Université du Québec à Montréal","funders":"National Institutes of Health; National Institute of General Medical Sciences; Shenzhen Gas Corporation; Wellcome Trust","keywords":"Flufenamic acid; Small molecule; Chemistry; Molecule; Combinatorial chemistry; Stereochemistry; Biochemistry; Organic chemistry","authors":[{"name":"Léa Mélin","is_ca":true},{"name":"Shuay Abdullayev","is_ca":true},{"name":"Ahmed Fnaiche","is_ca":true},{"name":"Victoria Vu","is_ca":true},{"name":"Narjara González Suárez","is_ca":true},{"name":"Hong Zeng","is_ca":true},{"name":"Magdalena M. Szewczyk","is_ca":true},{"name":"Fengling Li","is_ca":true},{"name":"Guillermo Senisterra","is_ca":true},{"name":"Abdellah Allali‐Hassani","is_ca":true},{"name":"Irene Chau","is_ca":true},{"name":"Aiping Dong","is_ca":true},{"name":"Simon Woo","is_ca":true},{"name":"Borhane Annabi","is_ca":true},{"name":"Levon Halabelian","is_ca":true},{"name":"Steven R. LaPlante","is_ca":true},{"name":"Masoud Vedadi","is_ca":true},{"name":"Dalia Baršytė-Lovejoy","is_ca":true},{"name":"Vijayaratnam Santhakumar","is_ca":true},{"name":"Alexandre Gagnon","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01770587536453057,"gpt":0.2244901262348694,"spread":0.2067842508703388,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001096243,0.0002092622,0.000240905,0.00002569193,0.00006875394,0.00001669341,0.0001994878,0.0002250051,0.00007546619],"category_scores_gemma":[0.0001089332,0.0002170893,0.0001248421,0.00009406067,0.00006959688,0.00000221122,0.0001836583,0.0001152472,0.00003814844],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002611816,"about_ca_system_score_gemma":0.0004397298,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000007592279,"about_ca_topic_score_gemma":0.00004565452,"domain_scores_codex":[0.9987162,0.00003386823,0.0003424308,0.0004676338,0.00015376,0.0002860676],"domain_scores_gemma":[0.9991921,0.00001237977,0.0001078649,0.0004239876,0.0001375841,0.0001261424],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00003158482,0.0001138503,0.0001476819,0.0000313001,0.00009702626,0.00001588029,0.0003950837,0.000001237106,0.9957754,0.000005039723,0.0001113102,0.003274597],"study_design_scores_gemma":[0.0006141423,0.00003252493,0.0002064429,0.00005634015,0.00002144027,0.000007487546,0.000299268,0.00001157368,0.9899666,0.00002352141,0.00850127,0.0002594264],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9952267,0.001372279,0.001830703,0.00006483145,0.0001358855,0.00007660096,0.00002946364,0.00002343447,0.001240127],"genre_scores_gemma":[0.9786726,0.00002864832,0.01953886,0.0001944336,0.0002158436,0.00002505482,0.0007140344,0.00003530756,0.000575261],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01770815,"threshold_uncertainty_score":0.8852646,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2137467751","doi":"10.1002/cmdc.201100346","title":"Inhibition of Aminoglycoside‐Deactivating Enzymes APH(3′)‐IIIa and AAC(6′)‐Ii by Amphiphilic Paromomycin O2′′‐Ether Analogues","year":2011,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Carbohydrate Chemistry and Synthesis","field":"Chemistry","cited_by":33,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Ottawa; McGill University; Université de Montréal; Université du Québec à Montréal","funders":"Natural Sciences and Engineering Research Council of Canada; Canadian Institutes of Health Research","keywords":"Paromomycin; Aminoglycoside; Amphiphile; Chemistry; Enzyme; Biochemistry; Pharmacology; Ether; Stereochemistry; Antibiotics; Medicine; Organic chemistry","authors":[{"name":"Janek Szychowski","is_ca":true},{"name":"Jiro Kondo","is_ca":false},{"name":"Omar Zahr","is_ca":true},{"name":"Karine Auclair","is_ca":true},{"name":"Éric Westhof","is_ca":false},{"name":"Stephen Hanessian","is_ca":true},{"name":"Jeffrey W. Keillor","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.02575017475551838,"gpt":0.2022066425353135,"spread":0.1764564677797952,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.000200705,0.0003757604,0.000486712,0.00005762468,0.0001544985,0.00002260108,0.0001979888,0.000343576,0.001389628],"category_scores_gemma":[0.0002020428,0.0003789944,0.0001529151,0.0001986901,0.0003197151,0.0001984675,0.0001698018,0.0002983856,0.000007972859],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006766808,"about_ca_system_score_gemma":0.00003540554,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001821445,"about_ca_topic_score_gemma":0.000008464096,"domain_scores_codex":[0.9981968,0.00002076669,0.0005385475,0.0005546586,0.0002687074,0.0004204554],"domain_scores_gemma":[0.9986922,0.0001845235,0.0003430499,0.0005032682,0.00008925267,0.000187742],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00005616401,0.0002096114,0.002077868,0.0003336865,0.00008864004,0.00001020561,0.002067446,8.856935e-8,0.990814,0.0001179953,0.001292974,0.002931274],"study_design_scores_gemma":[0.0005378234,0.00002166573,0.0001862924,0.0002008948,0.00006955802,0.00002056192,0.0009457977,0.00002106904,0.9955413,0.001112897,0.0009393254,0.0004028491],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9625809,0.0008048713,0.00001021374,0.00009304706,0.00002807225,0.00006615387,0.00007493333,0.0001178134,0.03622405],"genre_scores_gemma":[0.9980692,0.00007392458,0.0003397019,0.00006128282,0.0001405612,0.0000454906,0.0001440432,0.00005384783,0.001072005],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0354883,"threshold_uncertainty_score":0.9998662,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2082981677","doi":"10.1002/cmdc.200900240","title":"<i>N</i>‐(Anilinoethyl)amides: Design and Synthesis of Metabolically Stable, Selective Melatonin Receptor Ligands","year":2009,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Circadian rhythm and melatonin","field":"Neuroscience","cited_by":33,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"Université de Montréal; McGill University","funders":"Canadian Institutes of Health Research; Ministero dell'Università e della Ricerca","keywords":"Acetamide; Partial agonist; Receptor; Agonist; Microsome; In vivo; Intrinsic activity; Melatonin; In vitro; Chemistry; S9 fraction; Melatonin receptor; Potency; Biochemistry; Pharmacology; Stereochemistry; Biology; Endocrinology","authors":[{"name":"Silvia Rivara","is_ca":false},{"name":"Federica Vacondio","is_ca":false},{"name":"Alessandro Fioni","is_ca":false},{"name":"Claudia Silva","is_ca":false},{"name":"Caterina Carmi","is_ca":false},{"name":"Marco Mor","is_ca":false},{"name":"Valeria Lucini","is_ca":false},{"name":"Marilou Pannacci","is_ca":false},{"name":"Alessia Caronno","is_ca":false},{"name":"Francesco Scaglione","is_ca":false},{"name":"Gabriella Gobbi","is_ca":true},{"name":"Gilberto Spadoni","is_ca":false},{"name":"Annalida Bedini","is_ca":false},{"name":"Pierfrancesco Orlando","is_ca":false},{"name":"Simone Lucarini","is_ca":false},{"name":"Giorgio Tarzia","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.02276762489961097,"gpt":0.2457797814732893,"spread":0.2230121565736783,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0004446906,0.0002860206,0.0005220502,0.0001290986,0.0001197958,0.00004040248,0.0002488078,0.0002065138,0.0000651362],"category_scores_gemma":[0.001511892,0.0002673604,0.0001109436,0.0006180534,0.0002431532,0.0002205357,0.0000451971,0.0002831344,0.00003712938],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005431632,"about_ca_system_score_gemma":0.000146426,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00000528716,"about_ca_topic_score_gemma":4.096329e-7,"domain_scores_codex":[0.9980403,0.00009283022,0.0004054991,0.0006299739,0.0003325508,0.0004988196],"domain_scores_gemma":[0.9981593,0.0009361547,0.00018672,0.0003555088,0.00008860377,0.0002736915],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00009681024,0.0001455339,0.00009307609,0.00002145525,0.00001369659,0.00000805713,0.0005284686,0.00001023223,0.9834107,0.005671115,0.001016162,0.008984755],"study_design_scores_gemma":[0.0005040325,0.0001138851,0.0009948998,0.00005023869,0.00005353478,0.00003946684,0.00005256227,0.0001856176,0.9954853,0.0008304266,0.001404285,0.0002857463],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9881563,0.001338293,0.001143789,0.0008357671,0.0001282829,0.0004844489,0.00002701126,0.0001584827,0.007727638],"genre_scores_gemma":[0.9946956,0.0004593278,0.003423973,0.0006872278,0.00009085549,0.00003639062,0.000001230313,0.00003103041,0.0005743323],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01207467,"threshold_uncertainty_score":0.9999779,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2568260297","doi":"10.1002/cmdc.201600632","title":"Visible‐Light‐Triggered Activation of a Protein Kinase Inhibitor","year":2017,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Photochromic and Fluorescence Chemistry","field":"Materials Science","cited_by":33,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Simon Fraser University","funders":"","keywords":"Enzyme; Visible spectrum; Chemistry; Kinase; Protein kinase A; Small molecule; Ring (chemistry); Enzyme catalysis; Enzyme activator; Catalysis; Biophysics; Cell biology; Biochemistry; Biology; Materials science; Optoelectronics; Organic chemistry","authors":[{"name":"Danielle Wilson","is_ca":true},{"name":"Jason W. Li","is_ca":true},{"name":"Neil R. Branda","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01973012868944947,"gpt":0.2586240730013416,"spread":0.2388939443118921,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002122388,0.0001501728,0.0002316858,0.00002586044,0.0001995682,0.00008420274,0.0005644159,0.0001308102,0.0003410538],"category_scores_gemma":[0.0003835982,0.000134166,0.00006827126,0.00004663176,0.000230381,0.0003335704,0.0001570911,0.0001052867,0.00008438037],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006605944,"about_ca_system_score_gemma":0.0001119605,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004551151,"about_ca_topic_score_gemma":8.317028e-7,"domain_scores_codex":[0.9989201,0.000009688091,0.0002595801,0.0003059527,0.0002513737,0.0002533154],"domain_scores_gemma":[0.9986112,0.00001684989,0.0003603358,0.0008068123,0.000101438,0.0001033401],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00005766642,0.00007843832,0.00007831196,0.0001239983,0.00000387147,0.00000376443,0.0001350383,1.257078e-7,0.9981855,0.0001092843,0.0007062181,0.0005177559],"study_design_scores_gemma":[0.0005583536,0.00001949974,0.0003108295,0.0002000969,0.000006267192,0.000002128707,0.00005173141,0.00002837016,0.997695,0.0004713657,0.0005007428,0.0001556732],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9914095,0.0000241537,0.00006445219,0.0003243239,0.0001008076,0.0002718804,0.00001209164,0.00004993192,0.007742865],"genre_scores_gemma":[0.9980959,0.000002229963,0.0008557665,0.00002465496,0.0002086839,0.00006912602,0.00000726579,0.00001560758,0.000720743],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007022122,"threshold_uncertainty_score":0.547113,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2996595470","doi":"10.1002/cmdc.201900677","title":"Note of Caution for the Aqueous Behaviour of Metal‐Based Drug Candidates","year":2019,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Molecular Sensors and Ion Detection","field":"Chemistry","cited_by":32,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"Institut National de la Recherche Scientifique","funders":"Agence Nationale de la Recherche; Canada Foundation for Innovation","keywords":"Solubility; Aqueous solution; Colloid; Solvent; Ruthenium; Chemistry; Metal; Drug; Nanotechnology; Combinatorial chemistry; Organic chemistry; Materials science; Catalysis; Medicine; Pharmacology","authors":[{"name":"Anna Notaro","is_ca":false},{"name":"Gilles Gasser","is_ca":false},{"name":"Annie Castonguay","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.008466564331251293,"gpt":0.2337994537347351,"spread":0.2253328894034838,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001152907,0.00009793595,0.0001740273,0.00002354987,0.00002967257,0.000005484679,0.0001299661,0.00008079273,0.0004211898],"category_scores_gemma":[0.00005469305,0.00007368107,0.0001587472,0.00006964219,0.00004656483,0.00002436641,0.00001872915,0.00008230972,0.00000815387],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003068728,"about_ca_system_score_gemma":0.00003720379,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001650685,"about_ca_topic_score_gemma":0.00001709783,"domain_scores_codex":[0.9993551,0.000006433523,0.0002117424,0.0001526288,0.0001505087,0.0001236264],"domain_scores_gemma":[0.9992443,0.0001129077,0.0001804015,0.0003386793,0.00009625337,0.00002741747],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00006273069,0.00004507204,0.0003978471,0.0001871427,0.0000272554,3.493367e-7,0.0001009659,0.0000454446,0.9963337,0.00002956624,0.0003818733,0.002388109],"study_design_scores_gemma":[0.0005428017,0.000016395,0.00008642623,0.00002875164,0.00008306594,0.000001901226,0.00008407975,0.005589073,0.9906335,0.000031154,0.002821414,0.00008138699],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9971969,0.0002096222,0.0006224221,0.0001478461,0.00009738374,0.000148457,0.00003902175,0.00001991791,0.001518432],"genre_scores_gemma":[0.9974159,0.000008250093,0.000237585,0.00002763074,0.00003625578,0.00002343478,0.00003768071,0.00001730054,0.002195989],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005700093,"threshold_uncertainty_score":0.4611734,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2115380566","doi":"10.1002/cmdc.200600173","title":"Steroid Conjugates of Dichloro(6‐aminomethylnicotinate)platinum(II): Effects on DNA, Sex Hormone Binding Globulin, the Estrogen Receptor, and Various Breast Cancer Cell Lines","year":2007,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Metal complexes synthesis and properties","field":"Medicine","cited_by":32,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Child and Family Research Institute","funders":"Deutsche Forschungsgemeinschaft","keywords":"Sex hormone-binding globulin; Conjugate; Estrogen; Estrogen receptor; Chemistry; Internal medicine; Endocrinology; In vitro; Steroid; Receptor; Steroid hormone; Hormone; Biology; Biochemistry; Breast cancer; Cancer; Medicine","authors":[{"name":"Rainer Schobert","is_ca":false},{"name":"Günther Bernhardt","is_ca":false},{"name":"Bernhard Biersack","is_ca":false},{"name":"Susanne Bollwein","is_ca":false},{"name":"Magid Fallahi","is_ca":true},{"name":"Antje Grotemeier","is_ca":false},{"name":"Geoffrey L. Hammond","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01806205240935415,"gpt":0.2503797459859354,"spread":0.2323176935765812,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0007115494,0.0003155504,0.000596361,0.00006344412,0.0001768998,0.00002532327,0.0001792023,0.0001434385,0.0001321325],"category_scores_gemma":[0.0001232955,0.0001950146,0.00012255,0.0001810993,0.0002081025,0.00006726673,0.0001413192,0.0002423472,0.0000169681],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00008382789,"about_ca_system_score_gemma":0.00004464611,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001832347,"about_ca_topic_score_gemma":0.0000145196,"domain_scores_codex":[0.9983547,0.00005390776,0.0004649514,0.0003646899,0.0003483479,0.0004133519],"domain_scores_gemma":[0.9985014,0.000589939,0.0002426084,0.0003791534,0.0001095087,0.0001773512],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0005360437,0.0001503455,0.004966307,0.0003835451,0.0001248256,0.000005047948,0.0008771534,4.938836e-7,0.9696007,0.00002846927,0.0005737351,0.0227533],"study_design_scores_gemma":[0.001195157,0.0004875983,0.01155962,0.0002313494,0.0001476545,0.00002867502,0.0003749277,0.00003312128,0.9844882,0.00002492158,0.001221454,0.0002073574],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9837378,0.01205428,0.00001104278,0.0006795944,0.0001426013,0.0004632986,0.00003603612,0.00004689419,0.002828453],"genre_scores_gemma":[0.9966568,0.0006967661,0.000352913,0.0003365218,0.0003444544,0.00002839853,0.00002135747,0.00004582806,0.001516966],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02254594,"threshold_uncertainty_score":0.7952465,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2132504067","doi":"10.1002/cmdc.201000358","title":"Probing Small‐Molecule Binding to Cytochrome P450 2D6 and 2C9: An In Silico Protocol for Generating Toxicity Alerts","year":2010,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":31,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"","funders":"McMaster University","keywords":"CYP2C9; Pharmacophore; In silico; CYP2D6; Cytochrome P450; Computational biology; Quantitative structure–activity relationship; Drug; Drug discovery; Docking (animal); Chemistry; Pharmacology; Drug metabolism; Binding site; Biochemistry; Biology; Enzyme; Stereochemistry; Medicine; Gene","authors":[{"name":"Gianluca Rossato","is_ca":false},{"name":"Beat Ernst","is_ca":false},{"name":"Martin Smieško","is_ca":false},{"name":"Morena Spreafico","is_ca":false},{"name":"Angelo Vedani","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.05459689932679441,"gpt":0.3554090801249149,"spread":0.3008121807981205,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0009433234,0.0002123185,0.0002259488,0.0001695435,0.0001540843,0.0003027518,0.0005825998,0.00009833228,0.000005492794],"category_scores_gemma":[0.0003689107,0.000217454,0.00004673845,0.0004357247,0.00003962624,0.0004866995,0.0004031741,0.0002346975,0.000003571647],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007419564,"about_ca_system_score_gemma":0.0001615994,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001343478,"about_ca_topic_score_gemma":0.00009539882,"domain_scores_codex":[0.9982712,0.00006656958,0.000330849,0.0007034292,0.0002038084,0.0004241584],"domain_scores_gemma":[0.9989077,0.0002654863,0.000100473,0.0004157917,0.00009078869,0.0002196899],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00001248811,0.00009331954,0.000143205,0.00007706996,0.000004051374,0.000005038586,0.001080439,0.001235284,0.9787241,0.001935405,0.00004072423,0.01664884],"study_design_scores_gemma":[0.0005991971,0.00008215971,0.001097031,0.00004865251,0.000001449235,0.00001722369,0.0000218766,0.2031806,0.7932879,0.00119869,0.0002098659,0.0002554101],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"methods","genre_scores_codex":[0.7792765,8.452606e-7,0.1917827,0.0003926257,0.00005934868,0.02823997,0.00000245094,0.00008923107,0.0001564083],"genre_scores_gemma":[0.2784639,5.330729e-8,0.6304643,0.0004737578,0.0002225187,0.09028589,0.000006630981,0.00003286097,0.00005009734],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.5008126,"threshold_uncertainty_score":0.8867515,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2068865819","doi":"10.1002/cmdc.201300450","title":"A Chemical Tool for In Vitro and In Vivo Precipitation of Lysine Methyltransferase G9a","year":2014,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Epigenetics and DNA Methylation","field":"Biochemistry, Genetics and Molecular Biology","cited_by":31,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"Structural Genomics Consortium; University of Toronto","funders":"National Institute of General Medical Sciences; National Institute of Mental Health; National Cancer Institute; University of North Carolina at Chapel Hill; National Institutes of Health; Fonds National de la Recherche Luxembourg; V Foundation for Cancer Research; Ontario Ministry of Economic Development and Innovation; Wellcome Trust","keywords":"In vivo; In vitro; Lysine; Methyltransferase; Chemistry; Biochemistry; Computational biology; Cell biology; Biology; Biotechnology; Methylation; Amino acid; DNA","authors":[{"name":"Kyle D. Konze","is_ca":false},{"name":"Samantha G. Pattenden","is_ca":false},{"name":"Feng Liu","is_ca":false},{"name":"Dalia Baršytė-Lovejoy","is_ca":true},{"name":"Fengling Li","is_ca":true},{"name":"Jeremy M. Simon","is_ca":false},{"name":"Ian J. Davis","is_ca":false},{"name":"Masoud Vedadi","is_ca":true},{"name":"Jian Jin","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.009037070086034363,"gpt":0.2543165603396321,"spread":0.2452794902535977,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003198004,0.00008883237,0.0001538414,0.00004818834,0.000007821995,0.00000490665,0.00005485411,0.0001252542,0.000002945396],"category_scores_gemma":[0.0002746329,0.00009220343,0.00003999683,0.00007757613,0.00003960055,0.000003012823,0.0000189834,0.00004132652,1.557854e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000009808654,"about_ca_system_score_gemma":0.00001777491,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000008134112,"about_ca_topic_score_gemma":0.00001328522,"domain_scores_codex":[0.9993421,0.00002462765,0.0002270617,0.0002171049,0.00005934835,0.0001297807],"domain_scores_gemma":[0.9996939,0.00005643607,0.00004242404,0.0001318801,0.00004513029,0.00003028238],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002041902,0.00005289797,0.001166648,0.00005873457,0.000006018865,9.052977e-8,0.00007913829,0.00001577671,0.9928468,0.00002928369,0.00001182562,0.005528531],"study_design_scores_gemma":[0.001158224,0.00005508364,0.00095279,0.00001154377,0.00000788749,2.881058e-7,0.00001396379,0.0005322162,0.9959111,0.0005760298,0.0006781833,0.0001026674],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9931636,0.0003531474,0.005968459,0.00009705198,0.00002162142,0.0001940974,0.00001128447,0.000002482055,0.0001882811],"genre_scores_gemma":[0.9945498,0.0000748345,0.005107376,0.0000334242,0.00005801379,0.00004978928,0.00008005193,0.00001192078,0.00003485665],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005425863,"threshold_uncertainty_score":0.3759947,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1991727540","doi":"10.1002/cmdc.201300072","title":"From On‐Target to Off‐Target Activity: Identification and Optimisation of <i>Trypanosoma brucei</i> GSK3 Inhibitors and Their Characterisation as Anti‐<i>Trypanosoma brucei</i> Drug Discovery Lead Molecules","year":2013,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Trypanosoma species research and implications","field":"Medicine","cited_by":31,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Discovery Centre","funders":"National Institute of Allergy and Infectious Diseases; Medical Research Council; Wellcome Trust; National Institutes of Health; University of Dundee","keywords":"Trypanosoma brucei; Pharmacophore; Drug discovery; African trypanosomiasis; Biology; Drug target; Computational biology; Drug development; Drug; Biochemistry; Pharmacology; Virology; Trypanosomiasis; Gene","authors":[{"name":"Andrew Woodland","is_ca":true},{"name":"Raffaella Grimaldi","is_ca":true},{"name":"Torsten Luksch","is_ca":true},{"name":"Laura A. T. Cleghorn","is_ca":true},{"name":"Kayode K. Ojo","is_ca":false},{"name":"Wesley C. Van Voorhis","is_ca":false},{"name":"Ruth Brenk","is_ca":true},{"name":"Julie A. Frearson","is_ca":true},{"name":"Ian H. Gilbert","is_ca":true},{"name":"Paul G. Wyatt","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01287284632180595,"gpt":0.2568312228050081,"spread":0.2439583764832022,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.00003717652,0.0004257518,0.000621586,0.0002894463,0.0001905994,0.0002113853,0.0002099891,0.0002183103,0.0001035905],"category_scores_gemma":[0.0004469425,0.000373378,0.000133191,0.0004384012,0.0003067688,0.0009957459,0.0001912379,0.000358617,0.0001211436],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000139765,"about_ca_system_score_gemma":0.0001661381,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005151071,"about_ca_topic_score_gemma":0.000009247231,"domain_scores_codex":[0.9974104,0.00008500064,0.0006198366,0.0008403877,0.0005551672,0.0004892627],"domain_scores_gemma":[0.9978323,0.0002595276,0.0003383576,0.0007970361,0.0003193086,0.0004534486],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001692138,0.0003341703,0.003078063,0.0001184465,0.00009511074,0.000002740515,0.001435227,0.000003181694,0.9786917,0.00008490697,0.003613274,0.01237395],"study_design_scores_gemma":[0.0006789005,0.0001385489,0.3689704,0.0001258666,0.00002463647,0.0000149361,0.0006890128,0.0002170453,0.6272111,0.0005452126,0.001167583,0.0002168283],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9854831,0.0003544005,0.0004305686,0.01090802,0.0001543153,0.001408912,0.0002338232,0.0001036857,0.0009232035],"genre_scores_gemma":[0.9956834,0.0003191757,0.0009331118,0.0008080826,0.0003947233,0.000239453,0.0004998312,0.0000696542,0.001052551],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3658923,"threshold_uncertainty_score":0.9998718,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2143949552","doi":"10.1002/cmdc.201500287","title":"Design, Synthesis, and Evaluation of an <sup>18</sup>F‐Labeled Radiotracer Based on Celecoxib–NBD for Positron Emission Tomography (PET) Imaging of Cyclooxygenase‐2 (COX‐2)","year":2015,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Inflammatory mediators and NSAID effects","field":"Medicine","cited_by":30,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada; Canadian Institutes of Health Research; University of Alberta; Alberta Cancer Foundation","keywords":"Positron emission tomography; In vivo; Celecoxib; Chemistry; Cyclooxygenase; In vitro; Nuclear medicine; Enzyme; Medicine; Biochemistry; Biology","authors":[{"name":"Jatinder Kaur","is_ca":true},{"name":"Ole Tietz","is_ca":true},{"name":"Atul Bhardwaj","is_ca":true},{"name":"Alison Marshall","is_ca":true},{"name":"Jenilee Way","is_ca":true},{"name":"Melinda Wuest","is_ca":true},{"name":"Frank Wuest","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.03810206190235645,"gpt":0.3013347297914563,"spread":0.2632326678890999,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.002941188,0.0002788769,0.0005651258,0.0002809517,0.00005327604,0.00001119931,0.0001112519,0.0001269877,0.00004357208],"category_scores_gemma":[0.00102024,0.0002381606,0.0001379502,0.0002381986,0.0001119957,0.0001370755,0.00001783625,0.0001480216,0.00000136642],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001437712,"about_ca_system_score_gemma":0.0003758931,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001276116,"about_ca_topic_score_gemma":6.034667e-7,"domain_scores_codex":[0.9978328,0.000223065,0.000451107,0.0004006185,0.0007567672,0.0003355962],"domain_scores_gemma":[0.9978012,0.0005090506,0.0002608946,0.0004481815,0.0005874134,0.0003932213],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.003656303,0.00079603,0.006333681,0.001138959,0.0001306207,0.00002009087,0.0007646443,0.00106977,0.9498202,0.000009750263,0.003500285,0.03275971],"study_design_scores_gemma":[0.004373602,0.0004453325,0.001588675,0.0003307862,0.0004166967,0.00001321524,0.0001178317,0.2650932,0.7273495,0.00005591428,0.00005119444,0.0001640271],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9961156,0.0008793349,0.0008641443,0.0001667518,0.00007681083,0.001536985,0.0000130145,0.0000486333,0.0002987378],"genre_scores_gemma":[0.9937949,0.00001168748,0.005570156,0.0001038521,0.000187679,0.0002020782,0.00005452771,0.00005569202,0.00001940669],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2640235,"threshold_uncertainty_score":0.9711907,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2089132167","doi":"10.1002/cmdc.200800168","title":"The Discovery of Pyrano[3,4‐<i>b</i>]indole‐Based Allosteric Inhibitors of HCV NS5B Polymerase with In Vivo Activity","year":2008,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Hepatitis C virus research","field":"Medicine","cited_by":29,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Alberta; KMT Hepatech (Canada)","funders":"","keywords":"NS5B; Subgenomic mRNA; Indole test; In vivo; Virology; Hepatitis C virus; Polymerase; Replicon; Sofosbuvir; Biology; Chemistry; Stereochemistry; Enzyme; Hepacivirus; Biochemistry; Gene; Virus; Genetics","authors":[{"name":"Matthew G. LaPorte","is_ca":false},{"name":"Randy W. Jackson","is_ca":false},{"name":"Tandy L. Draper","is_ca":false},{"name":"Janet A. Gaboury","is_ca":false},{"name":"Kristin Galie","is_ca":false},{"name":"Torsten Herbertz","is_ca":false},{"name":"Alison R. Hussey","is_ca":false},{"name":"Susan R. Rippin","is_ca":false},{"name":"Christopher A. Benetatos","is_ca":false},{"name":"Srinivas K. Chunduru","is_ca":false},{"name":"Joel S. Christensen","is_ca":false},{"name":"Glen A. Coburn","is_ca":false},{"name":"Christopher J. Rizzo","is_ca":false},{"name":"Gerry Rhodes","is_ca":false},{"name":"John F. O’Connell","is_ca":false},{"name":"Anita Y. M. Howe","is_ca":false},{"name":"Tarek S. Mansour","is_ca":false},{"name":"Marc S. Collett","is_ca":false},{"name":"Daniel C. Pevear","is_ca":false},{"name":"Dorothy C. Young","is_ca":false},{"name":"Tiejun Gao","is_ca":true},{"name":"D. Lorne Tyrrell","is_ca":true},{"name":"Norman M. Kneteman","is_ca":true},{"name":"Christopher J. Burns","is_ca":false},{"name":"Stephen M. Condon","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.0296368109981041,"gpt":0.2817880959370843,"spread":0.2521512849389801,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002821313,0.0001893586,0.0004805693,0.0001479645,0.00007647986,0.000008425463,0.0001888048,0.0001086494,0.00004379986],"category_scores_gemma":[0.000245151,0.0001289355,0.0001165126,0.00063759,0.0007340556,0.0001568387,0.00007516581,0.0003265708,0.000004670504],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001193102,"about_ca_system_score_gemma":0.0006299688,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000701778,"about_ca_topic_score_gemma":0.0002148176,"domain_scores_codex":[0.9981411,0.00007202923,0.0003711408,0.0002772918,0.0007336341,0.0004047835],"domain_scores_gemma":[0.9987158,0.0003168032,0.0001594968,0.0005476837,0.0001223981,0.0001378043],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001783683,0.0005958603,0.1272465,0.0002646909,0.00006219636,0.0001538209,0.0005217046,0.000002923246,0.8593358,0.000008530153,0.0005988855,0.009425327],"study_design_scores_gemma":[0.002653608,0.0003235207,0.01609014,0.0002437106,0.00001911533,0.00001206419,0.00008541728,0.0001333427,0.9797202,0.000003314217,0.0005919582,0.0001236533],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9929653,0.0003242293,0.00003688365,0.0008178899,0.00003811746,0.0004276946,0.00002351122,0.00001818697,0.005348226],"genre_scores_gemma":[0.9988257,0.0001377864,0.000104401,0.0001131688,0.00005991593,0.0000464757,0.000005901291,0.00003774596,0.0006688541],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1203843,"threshold_uncertainty_score":0.5257838,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2989523690","doi":"10.1002/cmdc.201900591","title":"Thiourea and Guanidine Compounds and Their Iridium Complexes in Drug‐Resistant Cancer Cell Lines: Structure‐Activity Relationships and Direct Luminescent Imaging","year":2019,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Metal complexes synthesis and properties","field":"Medicine","cited_by":29,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of New Brunswick","funders":"Agencia Estatal de Investigación; Hilfe für krebskranke Kinder Frankfurt; Frankfurter Stiftung für krebskranke Kinder","keywords":"Thiourea; Guanidine; Iridium; Cisplatin; Luminescence; Combinatorial chemistry; Chemistry; Materials science; Biochemistry; Biology; Organic chemistry; Chemotherapy; Genetics","authors":[{"name":"Samuel Thomas","is_ca":false},{"name":"Barbora Balónová","is_ca":true},{"name":"Jindřich Činátl","is_ca":false},{"name":"Mark N. Wass","is_ca":false},{"name":"Christopher J. Serpell","is_ca":false},{"name":"Barry A. Blight","is_ca":true},{"name":"Martin Michaelis","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.03031325362729267,"gpt":0.2445090671742807,"spread":0.2141958135469881,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002888024,0.000263667,0.0005327611,0.00006771212,0.0001078499,0.00005392691,0.00005861978,0.00006196248,0.00007006159],"category_scores_gemma":[0.00006365283,0.00018461,0.00003757112,0.0001032875,0.0001571219,0.000139686,0.0001054411,0.0002663173,0.000001139614],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007182729,"about_ca_system_score_gemma":0.00004222379,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009070276,"about_ca_topic_score_gemma":0.0006974813,"domain_scores_codex":[0.998889,0.00007721892,0.0002499222,0.0003958554,0.0001400523,0.0002479937],"domain_scores_gemma":[0.9991998,0.0002638478,0.0001004503,0.0002445352,0.00006000184,0.0001313562],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002149576,0.00004958307,0.1527226,0.0005213881,0.00002407489,0.000002364845,0.00119155,5.1876e-7,0.8442175,0.00004263695,0.0003229928,0.0006897833],"study_design_scores_gemma":[0.001080894,0.00003559397,0.1829452,0.0002835292,0.00005052786,0.0000295928,0.0009981472,0.00119864,0.8103019,0.000119514,0.002714268,0.0002421867],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9784499,0.01641019,0.00000239486,0.001220117,0.00008077593,0.0003514522,0.00004127661,0.00003397378,0.003409942],"genre_scores_gemma":[0.9982992,0.0006577034,0.0001876112,0.0001536374,0.0000896245,0.00001254733,0.00001672894,0.00002969656,0.0005532943],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03391563,"threshold_uncertainty_score":0.7528176,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2570449624","doi":"10.1002/cmdc.201600482","title":"Design of a Mestranol 2‐<i>N</i>‐Piperazino‐Substituted Derivative Showing Potent and Selective in vitro and in vivo Activities in MCF‐7 Breast Cancer Models","year":2017,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Estrogen and related hormone effects","field":"Biochemistry, Genetics and Molecular Biology","cited_by":29,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Université Laval; Centre hospitalier universitaire de Québec","funders":"Northeast Ohio Medical University","keywords":"MCF-7; In vivo; In vitro; Mestranol; Breast cancer; Chemistry; Cancer research; Pharmacology; Internal medicine; Cancer; Medicine; Stereochemistry; Biology; Biochemistry; Human breast; Population; Genetics; Research methodology","authors":[{"name":"Martin Perreault","is_ca":true},{"name":"René Maltais","is_ca":true},{"name":"Jenny Roy","is_ca":true},{"name":"Raphaël Dutour","is_ca":true},{"name":"Donald Poirier","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01596418789455925,"gpt":0.2486729660789886,"spread":0.2327087781844293,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000148583,0.0001791464,0.0002683988,0.0000812847,0.00005516924,0.00002134164,0.0001126372,0.0002234833,9.96175e-7],"category_scores_gemma":[0.00002892003,0.0001715965,0.00002718899,0.00007245931,0.000196034,0.00002939666,0.00008780408,0.0001911131,5.91858e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004739801,"about_ca_system_score_gemma":0.0001072268,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003402778,"about_ca_topic_score_gemma":0.0001041096,"domain_scores_codex":[0.9991203,0.0000488417,0.0001774877,0.0003262119,0.00007506483,0.0002520928],"domain_scores_gemma":[0.9996271,0.00002594235,0.00009311696,0.0001716698,0.00002735238,0.00005484197],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0006463781,0.00007430728,0.007164714,0.00004255681,0.00004376744,0.00001887551,0.0007403421,0.0005317153,0.9891573,0.000005908147,0.000008591964,0.00156561],"study_design_scores_gemma":[0.001547717,0.00003825044,0.01354855,0.0001267,0.00001137498,0.00002513075,0.0001789829,0.00277963,0.9814537,0.0001089104,0.000001442046,0.0001796145],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9975365,0.001586827,0.0002002146,0.00009946583,0.00002287269,0.0003022495,0.00001647094,0.000004038075,0.0002313241],"genre_scores_gemma":[0.9985182,0.001000496,0.000325903,0.00002745876,0.00002050023,0.00006753684,0.000005200403,0.0000167488,0.00001790293],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007703536,"threshold_uncertainty_score":0.6997502,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2002546148","doi":"10.1002/cmdc.201000120","title":"Heme Oxygenase Inhibition by 1‐Aryl‐2‐(1<i>H</i>‐imidazol‐1‐yl/1<i>H</i>‐1,2,4‐triazol‐1‐yl)ethanones and Their Derivatives","year":2010,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Heme Oxygenase-1 and Carbon Monoxide","field":"Biochemistry, Genetics and Molecular Biology","cited_by":29,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"Queen's University","funders":"Canadian Institutes of Health Research","keywords":"Chemistry; Moiety; Imidazole; Azole; Aryl; Stereochemistry; Triazole; Heme oxygenase; Selectivity; Heme; Regioselectivity; Medicinal chemistry; Enzyme; Organic chemistry; Catalysis; Alkyl","authors":[{"name":"Gheorghe Roman","is_ca":true},{"name":"Jason Z. Vlahakis","is_ca":true},{"name":"Dragic Vukomanovic","is_ca":true},{"name":"Kanji Nakatsu","is_ca":true},{"name":"Walter A. Szarek","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.005611641886590336,"gpt":0.2099209081701811,"spread":0.2043092662835907,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0003794668,0.0005386919,0.0003900327,0.00007252113,0.0001943953,0.00009173398,0.0002908183,0.0005207791,0.0001024348],"category_scores_gemma":[0.0002342114,0.0004835649,0.0001826806,0.0002051008,0.0003785771,0.00002633995,0.0002638864,0.0004390581,0.00002867218],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001783711,"about_ca_system_score_gemma":0.0001094391,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000238746,"about_ca_topic_score_gemma":0.00005856557,"domain_scores_codex":[0.9977632,0.0000471733,0.0004363077,0.0008945929,0.0002162304,0.0006425166],"domain_scores_gemma":[0.9985146,0.00005462953,0.0001786806,0.0007137787,0.0001329026,0.0004053992],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00008494486,0.0001221731,0.0008312896,0.00004272782,0.00006988535,0.000006621647,0.0001984776,3.773894e-7,0.9823297,0.000137193,0.01367291,0.002503728],"study_design_scores_gemma":[0.001116272,0.0001093874,0.0005745465,0.00002007069,0.00001942467,0.00005260584,0.0003216967,0.0000256274,0.9410309,0.0003778929,0.05576601,0.0005855464],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9933425,0.001484677,0.0004211897,0.0008561907,0.0002759153,0.000330672,0.0001141635,0.00008664814,0.003088037],"genre_scores_gemma":[0.9951844,0.0004407956,0.0006494441,0.001358855,0.0006554854,0.0001101536,0.0006790044,0.00009219324,0.0008296205],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04209309,"threshold_uncertainty_score":0.9997616,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2987782326","doi":"10.1002/cmdc.201900521","title":"Design and Analysis of the 4‐Anilinoquin(az)oline Kinase Inhibition Profiles of GAK/SLK/STK10 Using Quantitative Structure‐Activity Relationships","year":2019,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Quinazolinone synthesis and applications","field":"Chemistry","cited_by":27,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"","funders":"University of North Carolina at Chapel Hill; Innovative Medicines Initiative; Canada Foundation for Innovation; Ontario Ministry of Economic Development and Innovation; Wellcome Trust; Genome Canada; AbbVie; Pfizer; Boehringer Ingelheim","keywords":"Kinome; Kinase; Cyclin-dependent kinase 9; Cyclin-dependent kinase 2; MAP kinase kinase kinase; MAP2K7; Threonine; Cyclin-dependent kinase 4; Protein kinase A; Chemistry; Serine; Computational biology; Biochemistry; Biology; Phosphorylation","authors":[{"name":"Christopher R. M. Asquith","is_ca":false},{"name":"Tuomo Laitinen","is_ca":false},{"name":"James M. Bennett","is_ca":false},{"name":"Carrow I. Wells","is_ca":false},{"name":"Jonathan M. Elkins","is_ca":false},{"name":"William J. Zuercher","is_ca":false},{"name":"Graham J. Tizzard","is_ca":false},{"name":"Antti Poso","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.05604186488672748,"gpt":0.2823892239915205,"spread":0.226347359104793,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002571898,0.0001621626,0.0003811805,0.00009618586,0.0001059211,0.00001195685,0.0001280848,0.0001538558,0.0002871477],"category_scores_gemma":[0.0001833713,0.0001288725,0.0001466136,0.000636265,0.0001845117,0.0001017883,0.00007468998,0.0002204213,0.000001812999],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005403713,"about_ca_system_score_gemma":0.00006995783,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004226338,"about_ca_topic_score_gemma":0.00001081268,"domain_scores_codex":[0.9989051,0.00006493747,0.0003535552,0.0003067715,0.0002175476,0.0001520528],"domain_scores_gemma":[0.9983438,0.0004585775,0.0004782682,0.0005136058,0.0001582464,0.00004751667],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0000394088,0.00009198949,0.01368836,0.0001445537,0.0002148806,1.540064e-7,0.000434775,0.0009096816,0.9830756,0.001188109,0.00000747432,0.0002050495],"study_design_scores_gemma":[0.0002268872,0.000009340396,0.01259952,0.00006950637,0.0005621522,0.000001446468,0.0003799477,0.02577741,0.9595524,0.0006855884,0.000007766823,0.0001280567],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9966901,0.00009409792,0.002312949,0.00008160337,0.00001455151,0.0002124265,0.0001358214,0.00001711423,0.0004413308],"genre_scores_gemma":[0.9943674,0.000008837656,0.005449792,0.000006566589,0.00001883659,0.00001351034,0.00003996018,0.00001721247,0.00007784866],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02486772,"threshold_uncertainty_score":0.5255267,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2033044862","doi":"10.1002/cmdc.201100393","title":"Rofecoxib Analogues Possessing a Nitric Oxide Donor Sulfohydroxamic Acid (SO<sub>2</sub>NHOH) Cyclooxygenase‐2 Pharmacophore: Synthesis, Molecular Modeling, and Biological Evaluation as Anti‐inflammatory Agents","year":2011,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Inflammatory mediators and NSAID effects","field":"Medicine","cited_by":27,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Alberta","funders":"Canadian Institutes of Health Research","keywords":"Rofecoxib; Pharmacophore; Valdecoxib; Nitric oxide; Cyclooxygenase; Chemistry; Pharmacology; Prostaglandin-Endoperoxide Synthase; Medicine; Combinatorial chemistry; Stereochemistry; Enzyme; Biochemistry; Organic chemistry","authors":[{"name":"Atul Bhardwaj","is_ca":true},{"name":"Zhangjian Huang","is_ca":true},{"name":"Jatinder Kaur","is_ca":true},{"name":"Edward E. Knaus","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.04095756007515814,"gpt":0.2801353140966436,"spread":0.2391777540214855,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.001509929,0.0005921471,0.0007879817,0.0003723658,0.0002494201,0.00005702683,0.0002256219,0.000475402,0.000133005],"category_scores_gemma":[0.000814066,0.0005134689,0.0002512372,0.0004091016,0.0002741261,0.0002307586,0.0001403322,0.0004961179,0.0001610454],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002568017,"about_ca_system_score_gemma":0.0004046682,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004716166,"about_ca_topic_score_gemma":0.000002350152,"domain_scores_codex":[0.9966363,0.000286377,0.000705737,0.0008819363,0.0007017931,0.0007878477],"domain_scores_gemma":[0.9981582,0.0001185803,0.000295138,0.0005440993,0.0002886552,0.000595329],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002697996,0.0002197233,0.007701596,0.0002881157,0.0002325687,0.0005471373,0.0003669707,0.00002756002,0.9806175,0.00002037107,0.0001987357,0.009509957],"study_design_scores_gemma":[0.002066092,0.00009726986,0.01928557,0.0002736952,0.0006012202,0.0002085294,0.0001200743,0.0277704,0.9487655,0.0002440977,0.00003624925,0.000531357],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9942051,0.003380654,0.0002062191,0.00005861052,0.0002340587,0.001092639,0.0000111928,0.0002223596,0.0005891953],"genre_scores_gemma":[0.9973849,0.0009801162,0.0003497591,0.0005201958,0.0002906501,0.0002507744,0.0001224803,0.00009542912,0.000005672059],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03185202,"threshold_uncertainty_score":0.9997317,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2808781256","doi":"10.1002/cmdc.201800398","title":"NVP‐BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family","year":2018,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Axon Guidance and Neuronal Signaling","field":"Neuroscience","cited_by":27,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"Structural Genomics Consortium","funders":"Structural Genomics Consortium; Deutschen Konsortium für Translationale Krebsforschung","keywords":"Erythropoietin-producing hepatocellular (Eph) receptor; Ephrin; Extracellular; Intracellular; EPH receptor A2; Kinase; Tyrosine kinase; Receptor; Biochemistry; Receptor tyrosine kinase; Biology; Selectivity; Chemistry; Transmembrane protein; Structural isomer; Stereochemistry; Cell biology","authors":[{"name":"Alix Tröster","is_ca":false},{"name":"Stephanie Heinzlmeir","is_ca":false},{"name":"Benedict‐Tilman Berger","is_ca":true},{"name":"S.L. Gande","is_ca":false},{"name":"Krishna Saxena","is_ca":false},{"name":"Sridhar Sreeramulu","is_ca":false},{"name":"V.L. Linhard","is_ca":false},{"name":"Amir H. Nasiri","is_ca":false},{"name":"Michael Bolte","is_ca":false},{"name":"Susanne Müller","is_ca":true},{"name":"Bernhard Küster","is_ca":false},{"name":"Guillaume Médard","is_ca":false},{"name":"D. Kudlinzki","is_ca":false},{"name":"Harald Schwalbe","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.0624264783758072,"gpt":0.2627468935758169,"spread":0.2003204152000097,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003118175,0.0001580473,0.0001673944,0.0000261391,0.0002398299,0.00002548997,0.0003584611,0.00005757239,0.00001338364],"category_scores_gemma":[0.001314374,0.00008829904,0.00006472915,0.0003253687,0.0006943663,0.00007144382,0.0001195206,0.0002722293,0.00003806714],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002128364,"about_ca_system_score_gemma":0.00003442305,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000156138,"about_ca_topic_score_gemma":0.000002185229,"domain_scores_codex":[0.9987742,0.0001566867,0.0001465537,0.000347923,0.0002989937,0.0002756155],"domain_scores_gemma":[0.9973084,0.002128324,0.0001192225,0.0003470765,0.00003743071,0.00005951549],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00006429652,0.00004808296,0.0001575469,0.00003394075,0.000005348392,0.00000438678,0.000807513,5.551459e-7,0.9932994,0.001120885,0.00161142,0.002846604],"study_design_scores_gemma":[0.0002151138,0.0002032253,0.003884211,0.0000366054,0.00001094691,0.000005874454,0.00009140983,0.00005873021,0.9933035,0.0008253513,0.001264201,0.0001007949],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9918928,0.00008569669,0.00005664141,0.002359484,0.0001595068,0.0002732099,0.000001660091,0.00003944135,0.005131591],"genre_scores_gemma":[0.9955682,0.00006977592,0.00001141102,0.004034109,0.000171221,0.00002372693,1.310736e-7,0.00001566483,0.000105762],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005025829,"threshold_uncertainty_score":0.360073,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W3183888225","doi":"10.1002/cmdc.202100350","title":"Stimulation of Ca<sup>2+</sup>‐ATPase Transport Activity by a Small‐Molecule Drug","year":2021,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Ion channel regulation and function","field":"Biochemistry, Genetics and Molecular Biology","cited_by":27,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Alberta","funders":"National Heart, Lung, and Blood Institute; National Institutes of Health; Regione Toscana; Heart and Stroke Foundation of Canada","keywords":"SERCA; Endoplasmic reticulum; ATP hydrolysis; Chemistry; ATPase; Biophysics; Cytoplasm; Vesicle; Stimulation; Biochemistry; Cell biology; Enzyme; Biology; Membrane; Endocrinology","authors":[{"name":"Giacomo Sordi","is_ca":false},{"name":"Andrea Goti","is_ca":false},{"name":"Howard S. Young","is_ca":true},{"name":"Ilaria Palchetti","is_ca":false},{"name":"Francesco Tadini‐Buoninsegni","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01188235104765194,"gpt":0.2283260533833933,"spread":0.2164437023357414,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001130174,0.000150575,0.0001630398,0.0000263476,0.00004990814,0.000007677275,0.00007785592,0.0001649458,0.0001667925],"category_scores_gemma":[0.00005792844,0.0001627659,0.0001322841,0.00014404,0.00005439167,0.000006307159,0.00003067942,0.00008295753,0.00001056192],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000217399,"about_ca_system_score_gemma":0.0001005611,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002028231,"about_ca_topic_score_gemma":0.000007767334,"domain_scores_codex":[0.9990993,0.00003617082,0.0001983382,0.0003393709,0.0001493008,0.0001774897],"domain_scores_gemma":[0.9993392,0.00001120136,0.00008514733,0.0002888909,0.0001839076,0.00009160759],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001184578,0.0001920599,0.0006300652,0.00005188339,0.00004275919,0.000003770499,0.000184024,0.00166135,0.9886333,0.00001226518,0.007391202,0.001078853],"study_design_scores_gemma":[0.0007531802,0.00003389297,0.0004845122,0.00001132918,0.00002407146,0.000007103064,0.0001331288,0.005004103,0.9845082,0.00001791023,0.008855582,0.0001670205],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9900963,0.0002133821,0.007623517,0.0003294289,0.0001017786,0.0001112887,0.00004611237,0.0000178276,0.00146039],"genre_scores_gemma":[0.9939482,0.00003456524,0.0002332731,0.0001873687,0.0001871741,0.00001529144,0.001160729,0.00002318427,0.004210182],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007390244,"threshold_uncertainty_score":0.6637402,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2143054751","doi":"10.1002/cmdc.200800255","title":"Bisphosphonated Benzoxazinorifamycin Prodrugs for the Prevention and Treatment of Osteomyelitis","year":2008,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Orthopedic Infections and Treatments","field":"Medicine","cited_by":27,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Aegera Therapeutics (Canada)","funders":"","keywords":"Prodrug; Osteomyelitis; Medicine; Pharmacology; Intensive care medicine; Surgery","authors":[{"name":"Ranga Reddy","is_ca":true},{"name":"Evelyne Dietrich","is_ca":true},{"name":"Yanick Lafontaine","is_ca":true},{"name":"Tom J. Houghton","is_ca":true},{"name":"Odette Bélanger","is_ca":true},{"name":"Anik Dubois","is_ca":true},{"name":"Francis F. Arhin","is_ca":true},{"name":"Ingrid Sarmiento","is_ca":true},{"name":"Ibtihal Fadhil","is_ca":true},{"name":"Karine Laquerre","is_ca":true},{"name":"Valérie Ostiguy","is_ca":true},{"name":"Dario Lehoux","is_ca":true},{"name":"Greg Moeck","is_ca":true},{"name":"Thomas Parr","is_ca":true},{"name":"Adel Rafai Far","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.0351209114858689,"gpt":0.2852748163667005,"spread":0.2501539048808317,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00004406323,0.000109241,0.0001922757,0.00003229004,0.0001246198,0.000002812887,0.00001461313,0.00005429858,0.00004227462],"category_scores_gemma":[0.00002602692,0.00006590413,0.0001024143,0.0001124716,0.00009969727,0.00003013647,0.000008501591,0.00002853049,0.000004010876],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006032648,"about_ca_system_score_gemma":0.00007320312,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001106902,"about_ca_topic_score_gemma":0.00001739143,"domain_scores_codex":[0.9994503,0.000005686838,0.000165179,0.0001579796,0.00009042225,0.0001304065],"domain_scores_gemma":[0.999534,0.00007202994,0.00006454079,0.0001845973,0.00008913589,0.00005573434],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0009006282,0.002057928,0.1740625,0.0002948687,0.001423019,0.00005255691,0.003781706,0.000001731986,0.01934425,0.0004475546,0.001772653,0.7958606],"study_design_scores_gemma":[0.007388794,0.00207649,0.1144682,0.00006122923,0.0005176625,0.0003116699,0.0002058528,0.0001025089,0.8404974,0.00008751047,0.03416907,0.0001136333],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9952939,0.001431455,0.0000812861,0.0006145734,0.0000901812,0.001062171,0.00001538458,0.00002940325,0.001381677],"genre_scores_gemma":[0.9897963,0.001147647,0.0006898898,0.00002125236,0.0001179986,0.0002601975,0.00005078618,0.00001390968,0.007902005],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.8211532,"threshold_uncertainty_score":0.2687492,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2323397864","doi":"10.1002/cmdc.201600021","title":"Disarming an Electrophilic Warhead: Retaining Potency in Tyrosine Kinase Inhibitor (TKI)‐Resistant CML Lines While Circumventing Pharmacokinetic Liabilities","year":2016,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Chronic Myeloid Leukemia Treatments","field":"Medicine","cited_by":26,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"Amgen (Canada); University of Toronto","funders":"National Cancer Institute; Canadian Institutes of Health Research; National Institutes of Health; Leukemia and Lymphoma Society","keywords":"Pharmacology; Chemistry; Tyrosine kinase; Tyrosine-kinase inhibitor; STAT protein; In vivo; STAT3; Kinome; Myeloid leukemia; Pharmacokinetics; Kinase; Cancer research; Medicine; Biochemistry; Biology; Signal transduction; Cancer; Internal medicine","authors":[{"name":"Ahmed M. Ali","is_ca":true},{"name":"Rodolfo F. Gómez‐Biagi","is_ca":true},{"name":"David A. Rosa","is_ca":true},{"name":"Ping‐Shan Lai","is_ca":true},{"name":"William L. Heaton","is_ca":false},{"name":"Ji Sung Park","is_ca":true},{"name":"Anna M. Eiring","is_ca":false},{"name":"Nadeem A. Vellore","is_ca":false},{"name":"Elvin D. de Araujo","is_ca":true},{"name":"Daniel P. Ball","is_ca":true},{"name":"Andrew E. Shouksmith","is_ca":true},{"name":"Ami B. Patel","is_ca":false},{"name":"Michael W. Deininger","is_ca":false},{"name":"Thomas O’Hare","is_ca":false},{"name":"Patrick T. Gunning","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.02732307540160419,"gpt":0.2838871783152141,"spread":0.2565641029136099,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0004168156,0.0004785617,0.0006713023,0.0002525057,0.0001208753,0.00003458529,0.0002244394,0.0001901886,0.0004105961],"category_scores_gemma":[0.000615703,0.000364206,0.000175305,0.000486574,0.0002018359,0.0003295824,0.0001179544,0.0003539776,0.00005078643],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001882117,"about_ca_system_score_gemma":0.0004303897,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001575071,"about_ca_topic_score_gemma":0.00004328595,"domain_scores_codex":[0.9967754,0.00007922355,0.0007913797,0.0008541711,0.0004873501,0.001012468],"domain_scores_gemma":[0.9983283,0.0002269802,0.0002011942,0.00071923,0.000150597,0.0003737429],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0003564574,0.0005185779,0.01241319,0.0003928959,0.00005719802,0.00028153,0.0008909589,0.000002167844,0.9477125,0.00008151272,0.0001984531,0.03709459],"study_design_scores_gemma":[0.007327973,0.0004537204,0.004482419,0.001235356,0.0001568982,0.00009875634,0.0004099759,0.0002649347,0.9829291,0.000372663,0.001810039,0.0004582216],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9933332,0.001821101,0.00002440255,0.002085025,0.0001855062,0.000610949,0.00002106519,0.0002354591,0.001683352],"genre_scores_gemma":[0.9958988,0.0001607803,0.0006143512,0.0002422017,0.0009427359,0.0001404837,0.00008614207,0.0001144716,0.001800026],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03663636,"threshold_uncertainty_score":0.999881,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W3110503354","doi":"10.1002/cmdc.202000839","title":"Getting a Grip on the Undrugged: Targeting β‐Catenin with Fragment‐Based Methods","year":2020,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Peptidase Inhibition and Analysis","field":"Medicine","cited_by":25,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Microsemi (Canada)","funders":"","keywords":"Catenin; Wnt signaling pathway; Small molecule; Computational biology; Virtual screening; Target protein; Suppressor; Drug discovery; Chemistry; Cell biology; Biology; Cancer research; Genetics; Gene; Biochemistry","authors":[{"name":"Dirk Kessler","is_ca":false},{"name":"Moriz Mayer","is_ca":false},{"name":"Stephan K. Zahn","is_ca":false},{"name":"Markus Zeeb","is_ca":false},{"name":"Simon Wöhrle","is_ca":false},{"name":"Andreas Bergner","is_ca":false},{"name":"Jens Bruchhaus","is_ca":false},{"name":"Tuncay Ciftci","is_ca":false},{"name":"Georg Dahmann","is_ca":false},{"name":"Maike Dettling","is_ca":false},{"name":"Sandra Döbel","is_ca":false},{"name":"Julian E. Fuchs","is_ca":false},{"name":"Leonhard Geist","is_ca":false},{"name":"Wolfgang Hela","is_ca":false},{"name":"Christiane Kofink","is_ca":false},{"name":"Roland Kousek","is_ca":false},{"name":"Franziska Moser","is_ca":false},{"name":"Teresa Puchner","is_ca":false},{"name":"Klaus Rumpel","is_ca":false},{"name":"Maximilian Scharnweber","is_ca":false},{"name":"Patrick Werni","is_ca":false},{"name":"B. Wolkerstorfer","is_ca":false},{"name":"Dennis Breitsprecher","is_ca":true},{"name":"Philipp Baaske","is_ca":false},{"name":"Mark Pearson","is_ca":false},{"name":"Darryl B. McConnell","is_ca":false},{"name":"Jark Böttcher","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.04978074924593924,"gpt":0.3159814375323288,"spread":0.2662006882863896,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004227572,0.0001823727,0.000276582,0.00004410513,0.0001349072,0.0000297944,0.0001031015,0.00006266899,0.0007872983],"category_scores_gemma":[0.0005071104,0.00010721,0.0001498502,0.0004518535,0.00008370109,0.00003205108,0.0000289251,0.0003788116,0.0001066426],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005173885,"about_ca_system_score_gemma":0.0000758403,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000005910533,"about_ca_topic_score_gemma":4.884437e-7,"domain_scores_codex":[0.9987949,0.00008740714,0.0002304397,0.000318246,0.0003056318,0.0002633687],"domain_scores_gemma":[0.9991246,0.0002542784,0.0001143981,0.0002013737,0.00007754839,0.0002278374],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002281453,0.00015471,0.0005374622,0.0001684496,0.000184654,0.00009334314,0.001013133,0.00005348151,0.972268,0.0003515202,0.02129822,0.003648908],"study_design_scores_gemma":[0.0009663065,0.0001144563,0.00007872711,0.0002854551,0.0001009624,0.00000513671,0.001002422,0.00852486,0.984563,0.00002757048,0.004178106,0.000153006],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.73849,0.0001219751,0.02322155,0.2008025,0.0000264288,0.0005150595,0.000009361984,0.0004162847,0.03639686],"genre_scores_gemma":[0.9446834,0.00000166859,0.02235408,0.03218246,0.0002860425,0.00003615806,0.00005104586,0.00003198415,0.0003731729],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2061934,"threshold_uncertainty_score":0.8620364,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2007681746","doi":"10.1002/cmdc.201100460","title":"Aspirin Analogues as Dual Cyclooxygenase‐2/5‐Lipoxygenase Inhibitors: Synthesis, Nitric Oxide Release, Molecular Modeling, and Biological Evaluation as Anti‐Inflammatory Agents","year":2011,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Inflammatory mediators and NSAID effects","field":"Medicine","cited_by":25,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Alberta","funders":"Canadian Institutes of Health Research","keywords":"Chemistry; Pharmacophore; Moiety; Cyclooxygenase; Arachidonate 5-lipoxygenase; Stereochemistry; Lipoxygenase; Enzyme inhibitor; Enzyme; Aspirin; Biological activity; Nitric oxide synthase; Pharmacology; Nitric oxide; In vitro; Biochemistry; Arachidonic acid; Organic chemistry; Medicine","authors":[{"name":"Jatinder Kaur","is_ca":true},{"name":"Atul Bhardwaj","is_ca":true},{"name":"Zhangjian Huang","is_ca":true},{"name":"Edward E. Knaus","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.04634973830278636,"gpt":0.2765521555651795,"spread":0.2302024172623932,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.001317107,0.0005351531,0.0006833141,0.0003222264,0.0001544174,0.00003112734,0.0001604646,0.0005279373,0.0003594686],"category_scores_gemma":[0.001483321,0.0004540228,0.0002420367,0.0003344505,0.0002252549,0.0001810929,0.00011279,0.0004413196,0.0003709912],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001764158,"about_ca_system_score_gemma":0.000316117,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001980732,"about_ca_topic_score_gemma":0.000004054579,"domain_scores_codex":[0.9967119,0.00024427,0.0006940067,0.0008269004,0.0008487574,0.0006741616],"domain_scores_gemma":[0.9980029,0.0001022913,0.0002367352,0.0006248986,0.0003254889,0.000707646],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001482283,0.001366228,0.03055264,0.001145802,0.0008843697,0.00519115,0.002216099,0.0001128445,0.9357504,0.0005949206,0.002916547,0.01778667],"study_design_scores_gemma":[0.002018829,0.0002575963,0.02382384,0.0003465075,0.0004590445,0.0003095379,0.0003460567,0.007927619,0.9630223,0.000526602,0.000362256,0.0005998143],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9938343,0.001808925,0.00003849682,0.00006778676,0.0001747803,0.001044201,0.00001079172,0.0002138831,0.002806812],"genre_scores_gemma":[0.9977818,0.0003916566,0.0003411841,0.000542774,0.0004114744,0.0002514555,0.0001538535,0.00007951737,0.00004626039],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02727186,"threshold_uncertainty_score":0.9997911,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null}]}