{"meta":{"page":1,"per_page":50,"max_per_page":100,"total":890,"total_is_capped":false,"direct_labels_cover":0,"predictions_cover":890,"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":"8c662c211cab","filters":{"venue":"Bioorganic & Medicinal Chemistry Letters"}},"results":[{"id":"W2010654750","doi":"10.1016/j.bmcl.2007.12.047","title":"The discovery of odanacatib (MK-0822), a selective inhibitor of cathepsin K","year":2008,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Cell Adhesion Molecules Research","field":"Medicine","cited_by":473,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"TransCanada (Canada); Merck Canada Inc. (Canada)","funders":"","keywords":"Cathepsin K; Chemistry; Enzyme inhibitor; Cathepsin; Intracellular; Pharmacology; Cathepsin L; Biochemistry; Enzyme; In vitro; Biology","authors":[{"name":"Jacques Yves Gauthier","is_ca":true},{"name":"Nathalie Chauret","is_ca":true},{"name":"Wanda Cromlish","is_ca":true},{"name":"Sylvie Desmarais","is_ca":true},{"name":"Le T. Duong","is_ca":false},{"name":"Jean‐Pierre Falgueyret","is_ca":true},{"name":"Donald B. Kimmel","is_ca":false},{"name":"Sonia Lamontagne","is_ca":true},{"name":"Serge Léger","is_ca":true},{"name":"Tammy LeRiche","is_ca":true},{"name":"Chun Sing Li","is_ca":true},{"name":"Frédéric Massé","is_ca":true},{"name":"Daniel J. McKay","is_ca":true},{"name":"Deborah A. Nicoll‐Griffith","is_ca":true},{"name":"Renata M. Oballa","is_ca":true},{"name":"James T. Palmer","is_ca":false},{"name":"M. David Percival","is_ca":true},{"name":"Denis Riendeau","is_ca":true},{"name":"Joël Robichaud","is_ca":true},{"name":"Gideon A. Rodan","is_ca":false},{"name":"Sevgi B. Rodan","is_ca":false},{"name":"Carmai Seto","is_ca":true},{"name":"Michel Thérien","is_ca":true},{"name":"Vouy-Linh Truong","is_ca":true},{"name":"Michael C. Venuti","is_ca":false},{"name":"Gregg Wesolowski","is_ca":false},{"name":"Robert N. Young","is_ca":true},{"name":"Robert Zamboni","is_ca":true},{"name":"W. Cameron Black","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01460902559602932,"gpt":0.2536845308897437,"spread":0.2390755052937144,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002132803,0.0003648305,0.0003250439,0.0002822802,0.0001311733,0.0006807278,0.0002810305,0.0004967289,0.0006581246],"category_scores_gemma":[0.0002199056,0.0001800244,0.0002168228,0.0001779062,0.0002586675,0.0003488694,0.0002670957,0.0008885225,0.0003288441],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005869284,"about_ca_system_score_gemma":0.0005729915,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000606904,"about_ca_topic_score_gemma":0.001448036,"domain_scores_codex":[0.9999204,0.000009798579,0.000004383792,0.00001125632,0.00002180895,0.00003233461],"domain_scores_gemma":[0.9999447,0.000005112691,0.000007770952,0.000003424031,0.00001442652,0.00002454979],"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":[0.001607104,0.0004238581,0.001601942,0.0004073842,0.00007803626,0.001224462,0.0001014425,0.001124638,0.8555827,0.005180359,0.006547526,0.1261205],"study_design_scores_gemma":[0.001026234,0.002721547,0.004818912,0.00004526659,0.0001853134,0.004230043,0.00008263924,0.004578795,0.8892944,0.001200486,0.09176645,0.0000498476],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9345196,0.03655789,0.008181935,0.004242079,0.0006635421,0.0002060655,0.0009646842,0.0003132884,0.01435083],"genre_scores_gemma":[0.9728749,0.01505751,0.003065426,0.0008557995,0.0001137872,0.000046622,0.0007788882,0.00001995432,0.007187104],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0006807278,"threshold_uncertainty_score":0.004258454,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2901817431","doi":"10.1016/j.bmcl.2018.11.034","title":"New approaches for the treatment of Alzheimer’s disease","year":2018,"lang":"en","type":"review","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Alzheimer's disease research and treatments","field":"Medicine","cited_by":180,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"","funders":"Engineering and Physical Sciences Research Council; Medical Research Council Canada; Medical Research Council; Eisai; Alzheimer’s Research UK; Wellcome Trust; Francis Crick Institute; Biogen; H. Lundbeck A/S; Cancer Research UK; Amgen","keywords":"Disease; Neuroinflammation; Clinical trial; Alzheimer's disease; Cognitive decline; Intensive care medicine; Medicine; Dementia; Internal medicine","authors":[{"name":"Paul V. Fish","is_ca":false},{"name":"David Steadman","is_ca":false},{"name":"Elliott D. Bayle","is_ca":false},{"name":"Paul J. Whiting","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.1483137338176398,"gpt":0.3592703014704685,"spread":0.2109565676528286,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005165201,0.0009067463,0.001327628,0.002159565,0.0003114913,0.0009830082,0.0009284707,0.0008650046,0.00475571],"category_scores_gemma":[0.0004604687,0.000252156,0.0006189688,0.001425352,0.0005787365,0.001316375,0.0007719542,0.002523927,0.002063743],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004724867,"about_ca_system_score_gemma":0.0007723133,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008224503,"about_ca_topic_score_gemma":0.002264668,"domain_scores_codex":[0.999849,0.00002408124,0.00001805729,0.00002222879,0.00006390103,0.00002285596],"domain_scores_gemma":[0.9998243,0.00007520484,0.00003020822,0.000007425935,0.00004362854,0.00001924098],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0001011187,0.0001442478,0.0000970827,0.01539251,0.000115306,0.0002184882,0.00006990711,0.0003102655,0.004738914,0.007370447,0.02026678,0.9511749],"study_design_scores_gemma":[0.00004952325,0.0001395421,0.0004754683,0.0022416,0.0001355697,0.0007589787,0.00004661352,0.00008926861,0.0009879721,0.003746252,0.9913096,0.00001966901],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.0001615131,0.9978939,0.0002716887,0.0002648957,0.0002330022,0.000007929024,0.00001896529,0.00001032559,0.001137789],"genre_scores_gemma":[0.00108693,0.9975278,0.0003200324,0.0001924862,0.000149915,0.000007622354,0.00002623116,0.000001401222,0.0006877331],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.00475571,"threshold_uncertainty_score":0.01590943,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1983314501","doi":"10.1016/j.bmcl.2011.04.088","title":"Discovery of XEN907, a spirooxindole blocker of NaV1.7 for the treatment of pain","year":2011,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Coordination Chemistry and Organometallics","field":"Chemistry","cited_by":156,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Xenon Pharmaceuticals (Canada)","funders":"","keywords":"Oxindole; Chemistry; Potency; Combinatorial chemistry; Stereochemistry; Drug discovery; High-throughput screening; Pharmacology; In vitro; Biochemistry; Catalysis","authors":[{"name":"Sultan Chowdhury","is_ca":false},{"name":"Mikhail Chafeev","is_ca":true},{"name":"Shifeng Liu","is_ca":true},{"name":"Jianyu Sun","is_ca":true},{"name":"Vandna Raina","is_ca":true},{"name":"Ray W. Chui","is_ca":true},{"name":"Wendy B. Young","is_ca":true},{"name":"Rainbow Kwan","is_ca":true},{"name":"Jianmin Fu","is_ca":true},{"name":"Jay A. Cadieux","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.02581135027017787,"gpt":0.2276234199131344,"spread":0.2018120696429566,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002694923,0.0002887061,0.0003624496,0.0002664324,0.0001525954,0.0005793601,0.0003862585,0.0004876502,0.001391347],"category_scores_gemma":[0.0001555335,0.0001439444,0.000315458,0.0001191335,0.0002279705,0.0003050771,0.0002535322,0.0007673996,0.000609374],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003269042,"about_ca_system_score_gemma":0.0004096467,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002902079,"about_ca_topic_score_gemma":0.001002896,"domain_scores_codex":[0.9999086,0.00001796473,0.000005145376,0.00001281116,0.00002344274,0.00003202471],"domain_scores_gemma":[0.9999642,0.000006538212,0.000005805432,0.000002320076,0.000007835528,0.00001320074],"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":[0.001595043,0.0006057593,0.001340223,0.0005162118,0.0001382603,0.002269368,0.0001533043,0.001529155,0.7913393,0.01152811,0.007661394,0.1813238],"study_design_scores_gemma":[0.004182542,0.01589319,0.007234221,0.0002403562,0.0005033167,0.0103478,0.0002686458,0.01022816,0.8002478,0.004243522,0.1464929,0.000117564],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.894192,0.04866252,0.01704686,0.006577449,0.0007882783,0.0004387062,0.001196692,0.0005160882,0.03058145],"genre_scores_gemma":[0.9520591,0.02884759,0.005671114,0.002151872,0.0001610672,0.00009004358,0.001228862,0.00003580689,0.009754537],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001391347,"threshold_uncertainty_score":0.004654527,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1998660158","doi":"10.1016/j.bmcl.2005.09.049","title":"Peptide inhibitors of dengue virus NS3 protease. Part 2: SAR study of tetrapeptide aldehyde inhibitors","year":2005,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Mosquito-borne diseases and control","field":"Medicine","cited_by":152,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"","funders":"Canadian Celiac Association","keywords":"Tetrapeptide; Chemistry; Tripeptide; Dipeptide; Aldehyde; NS3; Dengue virus; Stereochemistry; Protease; Serine protease; Peptide; Enzyme inhibitor; Biochemistry; Enzyme; Dengue fever; Virology","authors":[{"name":"Zheng Yin","is_ca":false},{"name":"Sejal Patel","is_ca":false},{"name":"Weiling Wang","is_ca":false},{"name":"Wai-Ling Chan","is_ca":false},{"name":"K. R. Ranga Rao","is_ca":false},{"name":"Gang Wang","is_ca":false},{"name":"Xinyi Ngew","is_ca":false},{"name":"Viral Patel","is_ca":false},{"name":"David Beer","is_ca":false},{"name":"John E. Knox","is_ca":false},{"name":"Ngai Ling","is_ca":false},{"name":"Claus Ehrhardt","is_ca":false},{"name":"Siew Pheng Lim","is_ca":false},{"name":"Subhash G. Vasudevan","is_ca":false},{"name":"Thomas H. Keller","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.009731485689946457,"gpt":0.2382307217676368,"spread":0.2284992360776903,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001603228,0.0002952098,0.0002935578,0.0001415587,0.00007793766,0.0001074396,0.0002082563,0.0001405235,0.001290106],"category_scores_gemma":[0.0000802158,0.00009817352,0.0002314061,0.0001123927,0.00008605061,0.0002171849,0.0001073652,0.0003057098,0.0002033405],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000161848,"about_ca_system_score_gemma":0.00007992771,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005267097,"about_ca_topic_score_gemma":0.0008351607,"domain_scores_codex":[0.9999574,0.000007782117,0.000002816116,0.000005241225,0.000009480049,0.00001718161],"domain_scores_gemma":[0.9999785,0.000005176104,0.000004406157,0.000001589336,0.000003935805,0.000006374992],"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":[0.001374698,0.0003054919,0.0002728558,0.0002479987,0.00004243744,0.0002503221,0.00005584232,0.003156721,0.9755101,0.0002756389,0.0003435262,0.01816437],"study_design_scores_gemma":[0.0006409225,0.01108617,0.004706564,0.00002464826,0.0001048132,0.0008245594,0.00004008905,0.003159431,0.9698948,0.0001206584,0.009371317,0.00002591678],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9821147,0.01113965,0.002387766,0.0001291695,0.00004904097,0.00009967646,0.0003644451,0.00004023734,0.003675337],"genre_scores_gemma":[0.9865149,0.008400703,0.001446632,0.0001303177,0.00002565868,0.0000341024,0.0005822011,0.000007924793,0.002857615],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001290106,"threshold_uncertainty_score":0.004315853,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2889861811","doi":"10.1016/j.bmcl.2018.09.016","title":"Methyl-containing pharmaceuticals: Methylation in drug design","year":2018,"lang":"en","type":"review","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Pharmacogenetics and Drug Metabolism","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":152,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Xenon Pharmaceuticals (Canada)","funders":"","keywords":"Chemistry; Drug; Pharmacokinetics; Methylation; Pharmacology; Pharmacodynamics; Drug metabolism; Biological activity; Computational biology; Combinatorial chemistry; In vitro; Biochemistry; Gene; Medicine","authors":[{"name":"Shaoyi Sun","is_ca":true},{"name":"Jianmin Fu","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.2739540655341272,"gpt":0.4918970300860542,"spread":0.217942964551927,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004805145,0.0007495429,0.0008347836,0.0008289642,0.000167061,0.0005809607,0.0006734921,0.0007790353,0.002860507],"category_scores_gemma":[0.0004106195,0.0003131008,0.0002798281,0.001002929,0.0004351319,0.001142166,0.000827238,0.001205104,0.001574195],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003445565,"about_ca_system_score_gemma":0.0004737651,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002843103,"about_ca_topic_score_gemma":0.0008122091,"domain_scores_codex":[0.9998734,0.0000275217,0.000013411,0.00002442628,0.00004322184,0.00001786652],"domain_scores_gemma":[0.9998775,0.00005475443,0.00002820985,0.000007463662,0.00001978059,0.00001229208],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0001032679,0.00007233813,0.0001551212,0.009016893,0.00008659004,0.0002739033,0.0000633386,0.000976533,0.01391547,0.01059127,0.01583687,0.9489084],"study_design_scores_gemma":[0.00004002198,0.0002700599,0.0003161261,0.001139345,0.00009792429,0.000987137,0.00003521585,0.0005204618,0.008985918,0.005185684,0.9823972,0.00002494362],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.001026909,0.9930713,0.001971423,0.0005555617,0.0003671069,0.00001196827,0.00003527207,0.00002669111,0.002933903],"genre_scores_gemma":[0.007963446,0.9867764,0.001471532,0.0004443865,0.0004372398,0.00001771358,0.00005423474,0.000005194788,0.002829739],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.002860507,"threshold_uncertainty_score":0.009569407,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2022558488","doi":"10.1016/j.bmcl.2006.11.044","title":"A generally applicable method for assessing the electrophilicity and reactivity of diverse nitrile-containing compounds","year":2006,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":147,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Merck Canada Inc. (Canada); TransCanada (Canada)","funders":"","keywords":"Nitrile; Chemistry; Reactivity (psychology); Electrophile; Cysteine; Cathepsin; Proteases; Nitrile hydratase; Combinatorial chemistry; Covalent bond; Stereochemistry; Organic chemistry; Enzyme","authors":[{"name":"Renata M. Oballa","is_ca":true},{"name":"Jean‐François Truchon","is_ca":true},{"name":"Christopher I. Bayly","is_ca":true},{"name":"Nathalie Chauret","is_ca":true},{"name":"Stephen H. Day","is_ca":true},{"name":"Sheldon N. Crane","is_ca":true},{"name":"Carl Berthelette","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.0153607908292463,"gpt":0.291482591644595,"spread":0.2761218008153487,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001362284,0.0008534709,0.0008700275,0.00140288,0.0005579702,0.0006423879,0.0008306887,0.0009831983,0.001943496],"category_scores_gemma":[0.002717071,0.0003987143,0.0006350109,0.0008754689,0.0003583278,0.0006350321,0.0006680816,0.001172226,0.0009444044],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003207353,"about_ca_system_score_gemma":0.000688842,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007102577,"about_ca_topic_score_gemma":0.00188916,"domain_scores_codex":[0.9990118,0.0001809808,0.00004509739,0.0002758896,0.0004377145,0.00004850788],"domain_scores_gemma":[0.9988161,0.0004487254,0.0001768524,0.0001989126,0.0002989647,0.00006051554],"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":[0.0003411169,0.0001505132,0.005843117,0.0004636354,0.0002106625,0.0001522984,0.00008806669,0.004621813,0.8554453,0.001986089,0.001351509,0.1293458],"study_design_scores_gemma":[0.00006068679,0.0007586228,0.01151937,0.00003619194,0.0001861929,0.00101676,0.00007198931,0.06964236,0.9065239,0.002955312,0.007122669,0.0001059112],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.09821165,0.001152373,0.8915837,0.0001060704,0.0001021907,0.0005620909,0.002195687,0.001838419,0.004247844],"genre_scores_gemma":[0.3883826,0.001404493,0.5999205,0.0001496154,0.00004649072,0.00145255,0.001939319,0.0001796867,0.006524768],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.001943496,"threshold_uncertainty_score":0.007204533,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2101449587","doi":"10.1016/j.bmcl.2005.05.027","title":"Inhibitors of the inducible microsomal prostaglandin E2 synthase (mPGES-1) derived from MK-886","year":2005,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Inflammatory mediators and NSAID effects","field":"Medicine","cited_by":142,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Merck Canada Inc. (Canada)","funders":"Max-Planck-Gesellschaft","keywords":"Chemistry; Microsome; ATP synthase; Potency; Enzyme; Prostaglandin; Enzyme inhibitor; Thromboxane-A synthase; Biochemistry; Prostaglandin H2; Stereochemistry; Indole test; In vitro; Selectivity; Prostaglandin E2; Cyclooxygenase; Arachidonic acid; Internal medicine","authors":[{"name":"Denis Riendeau","is_ca":true},{"name":"Renée Aspiotis","is_ca":true},{"name":"Diane Ethier","is_ca":true},{"name":"Yves Gareau","is_ca":true},{"name":"Erich L. Grimm","is_ca":true},{"name":"Jocelyne Guay","is_ca":true},{"name":"Sébastien Guiral","is_ca":true},{"name":"Hélène Jûteau","is_ca":true},{"name":"Joseph A. Mancini","is_ca":true},{"name":"Nathalie Méthot","is_ca":true},{"name":"Joel Rubin","is_ca":true},{"name":"Richard W. Friesen","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.007296075274614038,"gpt":0.2132772759817257,"spread":0.2059812007071117,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001344413,0.0003456469,0.0002447022,0.0001875061,0.0001158095,0.0001735834,0.000200957,0.0001734037,0.001521326],"category_scores_gemma":[0.000134284,0.0001398901,0.0002608026,0.0001227587,0.0001474952,0.0001550124,0.0001787827,0.0007088002,0.0004585521],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001787237,"about_ca_system_score_gemma":0.0002706141,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003057314,"about_ca_topic_score_gemma":0.0005318837,"domain_scores_codex":[0.9999161,0.00001337115,0.0000088687,0.000009748334,0.00001899009,0.00003300472],"domain_scores_gemma":[0.9999602,0.000006903554,0.00001194135,0.00000433643,0.000005052723,0.00001158944],"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":[0.001912147,0.0002778325,0.000288753,0.0002212224,0.00004916463,0.0001689792,0.00003106727,0.0006775821,0.9814289,0.0007413814,0.0005409381,0.01366206],"study_design_scores_gemma":[0.0003542337,0.002138925,0.001831651,0.00001356839,0.00006680285,0.0004273286,0.00001710697,0.001166923,0.9854773,0.0001305296,0.008364589,0.0000111392],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9822525,0.00542658,0.00587729,0.0003382847,0.0002276414,0.0001260075,0.0005637342,0.0001996786,0.004988474],"genre_scores_gemma":[0.9905026,0.003369859,0.002164198,0.00007699239,0.00003544807,0.00006716984,0.0006054667,0.0000142285,0.003164137],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001521326,"threshold_uncertainty_score":0.005089343,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W4244161199","doi":"10.1016/j.bmcl.2005.07.071","title":"Trifluoroethylamines as amide isosteres in inhibitors of cathepsin K","year":2005,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Bone Metabolism and Diseases","field":"Biochemistry, Genetics and Molecular Biology","cited_by":140,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Merck Canada Inc. (Canada)","funders":"","keywords":"Chemistry; Dipeptide; Amide; Cathepsin S; Cathepsin; Stereochemistry; Peptide bond; Selectivity; Enzyme inhibitor; Carboxamide; Chemical synthesis; Cathepsin K; Nitrogen atom; Hydrogen bond; Cathepsin B; Peptide; Enzyme; Biochemistry; In vitro; Organic chemistry; Molecule; Group (periodic table); Catalysis","authors":[{"name":"W. Cameron Black","is_ca":true},{"name":"Christopher I. Bayly","is_ca":true},{"name":"Dana Davis","is_ca":false},{"name":"Sylvie Desmarais","is_ca":true},{"name":"Jean‐Pierre Falgueyret","is_ca":true},{"name":"Serge Léger","is_ca":true},{"name":"Chun Sing Li","is_ca":true},{"name":"Frédéric Massé","is_ca":true},{"name":"Daniel J. McKay","is_ca":true},{"name":"James T. Palmer","is_ca":false},{"name":"M. David Percival","is_ca":true},{"name":"Joël Robichaud","is_ca":true},{"name":"Nancy N. Tsou","is_ca":false},{"name":"Robert Zamboni","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.004706623060705814,"gpt":0.2257567209933857,"spread":0.2210500979326799,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006057226,0.0004569064,0.0003689851,0.0003639717,0.0002003622,0.0002606664,0.0005334899,0.0005246563,0.001890715],"category_scores_gemma":[0.0002707255,0.0002695341,0.000387244,0.0001893728,0.0002167702,0.000528427,0.0002579941,0.0006359366,0.0005475075],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003090311,"about_ca_system_score_gemma":0.0001761344,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007263017,"about_ca_topic_score_gemma":0.001342383,"domain_scores_codex":[0.9998389,0.00004550071,0.00001414898,0.00001738085,0.00002260124,0.00006130648],"domain_scores_gemma":[0.9999089,0.00002651865,0.00002292094,0.00001014991,0.00001135485,0.00002019658],"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":[0.004899811,0.000402669,0.0003383622,0.000449756,0.0001106014,0.001097494,0.0002375848,0.003942024,0.941273,0.002773253,0.001703846,0.04277157],"study_design_scores_gemma":[0.001482235,0.01199275,0.001854189,0.00007727864,0.0002004926,0.001538209,0.00008802996,0.00329444,0.9573487,0.0004985093,0.02154934,0.00007578155],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9612562,0.01659585,0.006632606,0.0004894578,0.0002731915,0.0002107583,0.0004163033,0.0002804139,0.01384518],"genre_scores_gemma":[0.9852938,0.007721742,0.002215661,0.0001679989,0.00007406462,0.00005892621,0.0002529064,0.00002808748,0.004186707],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001890715,"threshold_uncertainty_score":0.006325066,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2017496419","doi":"10.1016/j.bmcl.2010.04.015","title":"Evaluation of thieno[3,2-b]pyrrole[3,2-d]pyridazinones as activators of the tumor cell specific M2 isoform of pyruvate kinase","year":2010,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Cancer, Hypoxia, and Metabolism","field":"Biochemistry, Genetics and Molecular Biology","cited_by":134,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Structural Genomics Consortium; University of Toronto","funders":"National Cancer Institute; National Institute of Mental Health; National Institutes of Health; National Institute of General Medical Sciences; Wellcome Trust","keywords":"PKM2; Chemistry; Pyruvate kinase; Biochemistry; Kinase; Cancer cell; Gene isoform; Structure–activity relationship; Enzyme; In vitro; Glycolysis; Cancer; Biology; Gene","authors":[{"name":"Jian‐kang Jiang","is_ca":false},{"name":"Matthew B. Boxer","is_ca":false},{"name":"Matthew G. Vander Heiden","is_ca":false},{"name":"Min Shen","is_ca":false},{"name":"Amanda P. Skoumbourdis","is_ca":false},{"name":"Noel Southall","is_ca":false},{"name":"Henrike Veith","is_ca":false},{"name":"William Leister","is_ca":false},{"name":"Christopher P. Austin","is_ca":false},{"name":"Hee Won Park","is_ca":true},{"name":"James Inglese","is_ca":false},{"name":"Lewis C. Cantley","is_ca":false},{"name":"Douglas S. Auld","is_ca":false},{"name":"Craig J. Thomas","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.008538137157250611,"gpt":0.2289553283962367,"spread":0.2204171912389861,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003453986,0.0002178389,0.0002665986,0.0001958888,0.0001861636,0.0003128168,0.0002487304,0.0002731966,0.0009596312],"category_scores_gemma":[0.0002115057,0.0001230793,0.0001478842,0.0001982604,0.0001964769,0.0001649179,0.0001283074,0.000331545,0.0001675118],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002993702,"about_ca_system_score_gemma":0.0003135734,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001191275,"about_ca_topic_score_gemma":0.002462612,"domain_scores_codex":[0.9998676,0.00004708629,0.000008775347,0.00001814899,0.00002168184,0.00003669782],"domain_scores_gemma":[0.9999064,0.00002870213,0.00001569928,0.000009450644,0.00001767651,0.00002209208],"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":[0.002262615,0.0002741491,0.0004415179,0.000131334,0.00001972445,0.0002099296,0.00009812392,0.001172893,0.987002,0.0003901671,0.000168827,0.007828749],"study_design_scores_gemma":[0.0005522172,0.009372768,0.002589096,0.00001068044,0.00006375138,0.000315901,0.00005110885,0.00198804,0.9804581,0.00008624484,0.004493877,0.00001825],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9936948,0.002734937,0.001198565,0.0001081083,0.00003257405,0.0001085833,0.0002169063,0.00003273331,0.00187281],"genre_scores_gemma":[0.995291,0.001873138,0.001076216,0.00003859697,0.00001044754,0.00003297595,0.0002240314,0.000005919822,0.001447789],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001191275,"threshold_uncertainty_score":0.003210306,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2019122388","doi":"10.1016/j.bmcl.2004.05.021","title":"Structural variations in keto-glutamines for improved inhibition against hepatitis A virus 3C proteinase","year":2004,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Hepatitis C virus research","field":"Medicine","cited_by":131,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Alberta","funders":"","keywords":"Tetrapeptide; Chemistry; Glutamine; Moiety; Pyrrolidine; Stereochemistry; Side chain; Enzyme inhibitor; Ring (chemistry); Structure–activity relationship; Biochemistry; Enzyme; In vitro; Amino acid; Peptide; Organic chemistry","authors":[{"name":"Rajendra P. Jain","is_ca":true},{"name":"John C. Vederas","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01732900079354145,"gpt":0.2741574883814529,"spread":0.2568284875879114,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002975576,0.0005057799,0.0004756677,0.0001877317,0.0002717986,0.0004133595,0.0006952789,0.0005342224,0.001777713],"category_scores_gemma":[0.000368677,0.0002692626,0.0003949872,0.0002523842,0.0003455524,0.0002467692,0.000282782,0.0008488492,0.0005487112],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000467281,"about_ca_system_score_gemma":0.0004046273,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001052469,"about_ca_topic_score_gemma":0.001380346,"domain_scores_codex":[0.9997666,0.0000541224,0.00003995225,0.00003421915,0.00005448293,0.00005062508],"domain_scores_gemma":[0.9997647,0.00003575032,0.00008640079,0.00002509655,0.00003388712,0.00005415436],"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":[0.001798899,0.000241095,0.0003292036,0.0001205543,0.00007225658,0.0007210026,0.0000525896,0.002885202,0.9870393,0.000665502,0.0001947611,0.005879736],"study_design_scores_gemma":[0.0005946536,0.00185732,0.001180914,0.00002746382,0.00008733779,0.0007511027,0.00003704804,0.002509745,0.9891858,0.0002009236,0.003521838,0.00004580109],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9949481,0.0005737793,0.002368226,0.0001427908,0.00009777102,0.00009948901,0.0002351111,0.0001148131,0.001419957],"genre_scores_gemma":[0.9971052,0.000261361,0.001805472,0.00007689189,0.00001450231,0.00002315067,0.0001552835,0.00003034254,0.000527739],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001777713,"threshold_uncertainty_score":0.005947053,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2010713047","doi":"10.1016/j.bmcl.2007.10.033","title":"Substituted phenanthrene imidazoles as potent, selective, and orally active mPGES-1 inhibitors","year":2007,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Phosphodiesterase function and regulation","field":"Biochemistry, Genetics and Molecular Biology","cited_by":128,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Merck Canada Inc. (Canada)","funders":"","keywords":"Chemistry; Pharmacology; Phenanthrene; IC50; Oral administration; Analgesic; Indole test; Orally active; Imidazole; Stereochemistry; Carboxylic acid; In vitro; Biochemistry; Organic chemistry","authors":[{"name":"Bernard Côté","is_ca":true},{"name":"Louise Boulet","is_ca":true},{"name":"Christine Brideau","is_ca":true},{"name":"David Claveau","is_ca":true},{"name":"Diane Ethier","is_ca":true},{"name":"Richard Frenette","is_ca":true},{"name":"Marc Gagnon","is_ca":true},{"name":"André Giroux","is_ca":true},{"name":"Jocelyne Guay","is_ca":true},{"name":"Sébastien Guiral","is_ca":true},{"name":"Joseph A. Mancini","is_ca":true},{"name":"Evelyn Martins","is_ca":true},{"name":"Frédéric Massé","is_ca":true},{"name":"Nathalie Méthot","is_ca":true},{"name":"Denis Riendeau","is_ca":true},{"name":"Joel Rubin","is_ca":true},{"name":"Daigen Xu","is_ca":true},{"name":"Hongping Yu","is_ca":true},{"name":"Yves Ducharme","is_ca":true},{"name":"Richard W. Friesen","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.004358412619657795,"gpt":0.2204888019506904,"spread":0.2161303893310326,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001810212,0.0003374794,0.0003759086,0.0001861182,0.0001244861,0.000206099,0.0003648626,0.0002366881,0.001286432],"category_scores_gemma":[0.0001170652,0.0001487325,0.0001141669,0.0001990425,0.0001679609,0.0002351535,0.0001818119,0.0005684819,0.0003122003],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002331374,"about_ca_system_score_gemma":0.0001556559,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000262532,"about_ca_topic_score_gemma":0.0009834559,"domain_scores_codex":[0.9999324,0.00001282933,0.000004493608,0.000009714564,0.00001671523,0.00002382213],"domain_scores_gemma":[0.9999696,0.000005371619,0.000007938019,0.000003776938,0.000003207026,0.00001004345],"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":[0.001723377,0.0002287638,0.000240546,0.0002041024,0.00002405782,0.0003584203,0.00005584161,0.001558731,0.9607817,0.0009114527,0.0007755432,0.03313746],"study_design_scores_gemma":[0.000757153,0.005123897,0.00330226,0.00002386285,0.00008640974,0.00141075,0.00003603451,0.002522113,0.9690816,0.0002786129,0.01735036,0.00002693373],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9686162,0.01887997,0.004700151,0.0003584969,0.0001573596,0.0001025197,0.0004454363,0.0002714298,0.006468458],"genre_scores_gemma":[0.9835666,0.008933885,0.002106569,0.00009440517,0.00004017197,0.00004076558,0.000468828,0.00001899335,0.004729787],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001286432,"threshold_uncertainty_score":0.004303515,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1977293014","doi":"10.1016/s0960-894x(02)00025-2","title":"Potent nonsteroidal progesterone receptor agonists: Synthesis and SAR study of 6-aryl benzoxazines","year":2002,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Estrogen and related hormone effects","field":"Biochemistry, Genetics and Molecular Biology","cited_by":117,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Women's Health Research Institute","funders":"","keywords":"Chemistry; Ovariectomized rat; Aryl; Agonist; Chemical synthesis; In vivo; Progesterone receptor; Receptor; Pharmacology; Mifepristone; Stereochemistry; Endocrinology; Internal medicine; In vitro; Hormone; Biochemistry; Estrogen receptor; Organic chemistry; Medicine; Alkyl; Pregnancy","authors":[{"name":"Puwen Zhang","is_ca":true},{"name":"Eugene A. Terefenko","is_ca":false},{"name":"Andrew Fensome","is_ca":false},{"name":"Zhiming Zhang","is_ca":false},{"name":"Yuan Zhu","is_ca":false},{"name":"Jeffrey Cohen","is_ca":false},{"name":"Richard C. Winneker","is_ca":false},{"name":"Jay Wrobel","is_ca":false},{"name":"John P. Yardley","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.008087172827368603,"gpt":0.2004361406382155,"spread":0.1923489678108469,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002159982,0.0003019057,0.0003350312,0.0001647525,0.0001430644,0.0001423064,0.0003162146,0.0001648251,0.001756261],"category_scores_gemma":[0.0001658364,0.0001579722,0.0001732827,0.000159874,0.0001831136,0.0002272747,0.0002511152,0.0004402874,0.0005900568],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002487942,"about_ca_system_score_gemma":0.0002532278,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009203429,"about_ca_topic_score_gemma":0.00256995,"domain_scores_codex":[0.9999242,0.00001524594,0.000005775105,0.000008657479,0.00001936693,0.00002688111],"domain_scores_gemma":[0.9999489,0.000008093518,0.0000136828,0.000005262908,0.000009154171,0.00001490231],"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":[0.0007566193,0.0002162713,0.0004647181,0.0005225848,0.00003752165,0.0005397343,0.000193375,0.002524254,0.9597971,0.002460906,0.0009381308,0.03154871],"study_design_scores_gemma":[0.0006102208,0.007432717,0.007240556,0.000083615,0.0001109781,0.001392561,0.0001348258,0.00303486,0.9210713,0.0007258783,0.05810287,0.00005952244],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9273868,0.03815207,0.02046639,0.001018175,0.0001793734,0.0003724181,0.001168704,0.0001935201,0.01106235],"genre_scores_gemma":[0.9489552,0.03259056,0.007210576,0.0002665682,0.00006431387,0.0001241562,0.0009315839,0.00002313106,0.009833897],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001756261,"threshold_uncertainty_score":0.00587523,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2128730739","doi":"10.1016/j.bmcl.2010.12.070","title":"Difluoroethylamines as an amide isostere in inhibitors of cathepsin K","year":2010,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Bone Metabolism and Diseases","field":"Biochemistry, Genetics and Molecular Biology","cited_by":111,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"TransCanada (Canada); Merck Canada Inc. (Canada)","funders":"","keywords":"Chemistry; Isostere; Cathepsin; Cathepsin K; Amide; Selectivity; Stereochemistry; Potency; Bioavailability; Cathepsin S; Cathepsin L; Biochemistry; Pharmacology; Enzyme; In vitro","authors":[{"name":"Élise Isabel","is_ca":true},{"name":"Christophe Mellon","is_ca":true},{"name":"Michael J. Boyd","is_ca":true},{"name":"Nathalie Chauret","is_ca":true},{"name":"Denis Deschênes","is_ca":true},{"name":"Sylvie Desmarais","is_ca":true},{"name":"Jean‐Pierre Falgueyret","is_ca":true},{"name":"Jacques Yves Gauthier","is_ca":true},{"name":"Karine Khougaz","is_ca":true},{"name":"Cheuk K. Lau","is_ca":true},{"name":"Serge Léger","is_ca":true},{"name":"Dorothy Levorse","is_ca":false},{"name":"Chun Sing Li","is_ca":true},{"name":"Frédéric Massé","is_ca":true},{"name":"M. David Percival","is_ca":true},{"name":"Bruno Roy","is_ca":true},{"name":"John Scheigetz","is_ca":true},{"name":"Michel Thérien","is_ca":true},{"name":"Vouy Linh Truong","is_ca":true},{"name":"Gregg Wesolowski","is_ca":false},{"name":"Robert N. Young","is_ca":false},{"name":"Robert Zamboni","is_ca":true},{"name":"W. Cameron Black","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.003989454053911978,"gpt":0.2301467001077376,"spread":0.2261572460538256,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004984791,0.0004391715,0.0003748967,0.0003177208,0.0002090871,0.0002895443,0.0005386321,0.0004684087,0.001730555],"category_scores_gemma":[0.0002143213,0.0002508776,0.000302907,0.0001752526,0.0002122307,0.0004762525,0.000246986,0.0005719575,0.0005270085],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003338197,"about_ca_system_score_gemma":0.0001896257,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008598406,"about_ca_topic_score_gemma":0.001619152,"domain_scores_codex":[0.9998466,0.00004208031,0.00001520462,0.00002012607,0.00002271964,0.00005320292],"domain_scores_gemma":[0.9999301,0.00001909448,0.00001587863,0.000008921913,0.00001020136,0.00001568961],"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":[0.003792907,0.0003712153,0.0003932019,0.0003604206,0.00008965276,0.000871318,0.0001967389,0.002744182,0.9493127,0.002615429,0.001448966,0.03780332],"study_design_scores_gemma":[0.00103837,0.008160464,0.001703418,0.00005334767,0.0001529025,0.001228761,0.00006743386,0.00212879,0.9585401,0.000366444,0.02650172,0.00005826532],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9610651,0.01751069,0.005811348,0.0005338107,0.0002847411,0.0002038785,0.0004905647,0.0002039983,0.01389583],"genre_scores_gemma":[0.9843061,0.007857014,0.001959869,0.0001557215,0.00006399408,0.00005111077,0.0002723765,0.00002274774,0.005311079],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001730555,"threshold_uncertainty_score":0.00578928,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2112354998","doi":"10.1016/s0960-894x(00)00465-0","title":"Highly potent and selective peptide-based inhibitors of the hepatitis C virus serine protease: towards smaller inhibitors","year":2000,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Hepatitis C virus research","field":"Medicine","cited_by":108,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Boehringer Ingelheim (Canada)","funders":"","keywords":"Chemistry; Serine protease; Protease; Tetrapeptide; Peptide; Stereochemistry; Serine; Proteases; Biochemistry; NS3; Enzyme inhibitor; Enzyme","authors":[{"name":"Montse Llinàs‐Brunet","is_ca":true},{"name":"Murray D. Bailey","is_ca":true},{"name":"Gulrez Fazal","is_ca":true},{"name":"Élise Ghiro","is_ca":true},{"name":"Vida Gorys","is_ca":true},{"name":"Sylvie Goulet","is_ca":true},{"name":"Ted Halmos","is_ca":true},{"name":"Roger Maurice","is_ca":true},{"name":"Martin Poirier","is_ca":true},{"name":"Marc‐André Poupart","is_ca":true},{"name":"Jean Rancourt","is_ca":true},{"name":"Diane Thibeault","is_ca":true},{"name":"Dominik Wernic","is_ca":true},{"name":"Daniel Lamarre","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01060900756520824,"gpt":0.2367902075328355,"spread":0.2261811999676273,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003409605,0.0005589086,0.0003493848,0.0002439577,0.0001459573,0.0004261928,0.0003730237,0.0003906478,0.001915517],"category_scores_gemma":[0.0001957816,0.0002650741,0.0002024095,0.0001638386,0.0002456368,0.0004389472,0.0003412832,0.000908256,0.00094363],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003350076,"about_ca_system_score_gemma":0.0002209369,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003288908,"about_ca_topic_score_gemma":0.0007258699,"domain_scores_codex":[0.999867,0.00002243064,0.000009626006,0.00002241965,0.00003720655,0.0000413654],"domain_scores_gemma":[0.9999306,0.0000151791,0.00001200758,0.000005668574,0.00001296419,0.00002343776],"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":[0.0004874539,0.000168415,0.00009998824,0.0002900524,0.00002000371,0.0001976713,0.00008852741,0.001504068,0.9672608,0.001432294,0.001342249,0.02710858],"study_design_scores_gemma":[0.000283482,0.00138659,0.0005119311,0.000023974,0.00004604771,0.0005749554,0.00002585147,0.002162352,0.9694179,0.0004073798,0.02513543,0.00002407201],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8618095,0.04297454,0.06310407,0.001397416,0.0005256858,0.0007774654,0.0008791414,0.0005462556,0.0279859],"genre_scores_gemma":[0.9304801,0.02783241,0.02014463,0.000851473,0.0001670334,0.0002296575,0.001046766,0.00009441013,0.01915352],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001915517,"threshold_uncertainty_score":0.006408036,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2063702342","doi":"10.1016/j.bmcl.2010.10.131","title":"Discovery of a 1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione series of inhibitors of HIV-1 capsid assembly","year":2010,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"HIV/AIDS drug development and treatment","field":"Medicine","cited_by":104,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Boehringer Ingelheim (Canada)","funders":"","keywords":"Diazepine; Chemistry; Stereochemistry; Capsid; Bicyclic molecule; Imidazole; Ring (chemistry); Pyrazole; Substituent; Biochemistry; Organic chemistry","authors":[{"name":"Lee D. Fader","is_ca":true},{"name":"Richard C. Bethell","is_ca":true},{"name":"Pierre Bonneau","is_ca":true},{"name":"Michael Bös","is_ca":true},{"name":"Yves Bousquet","is_ca":true},{"name":"Michael G. Cordingley","is_ca":true},{"name":"René Coulombe","is_ca":true},{"name":"Patrick DeRoy","is_ca":true},{"name":"Anne‐Marie Faucher","is_ca":true},{"name":"Alexandre Gagnon","is_ca":true},{"name":"Nathalie Goudreau","is_ca":true},{"name":"Chantal Grand‐Maître","is_ca":true},{"name":"Ingrid Guse","is_ca":true},{"name":"Oliver Hucke","is_ca":true},{"name":"Stephen H. Kawai","is_ca":true},{"name":"Jean‐Eric Lacoste","is_ca":true},{"name":"Serge Landry","is_ca":true},{"name":"Christopher T. Lemke","is_ca":true},{"name":"Éric Malenfant","is_ca":true},{"name":"Stephen W. Mason","is_ca":true},{"name":"Sébastien Morin","is_ca":true},{"name":"Jeff A. O’Meara","is_ca":true},{"name":"Bruno Simoneau","is_ca":true},{"name":"Steve Titolo","is_ca":true},{"name":"Christiane Yoakim","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.006118364677811453,"gpt":0.2156081925006955,"spread":0.2094898278228841,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001927395,0.0003179422,0.0002941237,0.0003468301,0.0001563047,0.0003923584,0.0004164798,0.0002442125,0.001282927],"category_scores_gemma":[0.0002019788,0.0001739023,0.0001416483,0.0001404232,0.0001969192,0.0001495174,0.0001813698,0.0005446865,0.0004129809],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005802637,"about_ca_system_score_gemma":0.0003251893,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001147849,"about_ca_topic_score_gemma":0.005133137,"domain_scores_codex":[0.9999303,0.00001456546,0.000004096414,0.00001170649,0.000017378,0.00002198185],"domain_scores_gemma":[0.9999419,0.00001139074,0.000009823902,0.000004006833,0.0000121024,0.0000207664],"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":[0.0003320889,0.0003525135,0.0005315915,0.0002297768,0.00003022518,0.0004067393,0.000120689,0.001758319,0.957877,0.002740903,0.001452776,0.03416733],"study_design_scores_gemma":[0.0006298193,0.00288298,0.005589711,0.00006581827,0.00007938011,0.001166178,0.00005250083,0.007718591,0.9315938,0.0006166599,0.04955916,0.00004536511],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9357216,0.01893969,0.01935431,0.001007155,0.0002829039,0.000578447,0.001236401,0.000520903,0.02235864],"genre_scores_gemma":[0.9719641,0.008767155,0.008269063,0.0004486076,0.00003768887,0.00009639881,0.0009170458,0.00002824468,0.009471762],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001282927,"threshold_uncertainty_score":0.004291832,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2119499868","doi":"10.1016/j.bmcl.2003.10.023","title":"Non-nucleoside inhibitors of the hepatitis C virus NS5B polymerase: discovery and preliminary SAR of benzimidazole derivatives","year":2003,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Hepatitis C virus research","field":"Medicine","cited_by":103,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Boehringer Ingelheim (Canada)","funders":"Boehringer Ingelheim","keywords":"Benzimidazole; NS5B; Chemistry; Hepatitis C virus; Polymerase; Drug discovery; Combinatorial chemistry; Nucleoside; High-throughput screening; RNA polymerase; Enzyme; Virology; Biochemistry; Virus; Hepacivirus; RNA; Biology; Organic chemistry","authors":[{"name":"Pierre L. Beaulieu","is_ca":true},{"name":"Michael Bös","is_ca":true},{"name":"Yves Bousquet","is_ca":true},{"name":"Gulrez Fazal","is_ca":true},{"name":"Jean Gauthier","is_ca":true},{"name":"James Gillard","is_ca":true},{"name":"Sylvie Goulet","is_ca":true},{"name":"Steven R. LaPlante","is_ca":true},{"name":"Marc‐André Poupart","is_ca":true},{"name":"Sylvain Lefèbvre","is_ca":true},{"name":"Ginette McKercher","is_ca":true},{"name":"Charles Pellerin","is_ca":true},{"name":"Volkhard Austel","is_ca":false},{"name":"George Kukolj","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.009352868706358144,"gpt":0.2421191275471439,"spread":0.2327662588407858,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000259991,0.0003697061,0.0003013262,0.0001987637,0.0001832242,0.000290909,0.0003699691,0.0002362108,0.001640761],"category_scores_gemma":[0.0002762682,0.0001399816,0.0002189181,0.0001648602,0.0001647346,0.0001805964,0.0001822971,0.0006322767,0.000378495],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005547061,"about_ca_system_score_gemma":0.0003203441,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002700736,"about_ca_topic_score_gemma":0.01044882,"domain_scores_codex":[0.9998863,0.00002704489,0.000007255387,0.00001000771,0.00003285857,0.00003646216],"domain_scores_gemma":[0.9999242,0.00002002294,0.00001343504,0.000006780289,0.0000157638,0.00001984565],"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":[0.001429297,0.0004415985,0.0009497296,0.0005396188,0.00003966503,0.0006224642,0.0001893305,0.002120435,0.9310254,0.001717472,0.001492156,0.05943296],"study_design_scores_gemma":[0.0008138022,0.009145252,0.009301091,0.0001305504,0.0001283,0.001668454,0.0001109895,0.005456957,0.9292182,0.0004587637,0.04350384,0.00006381253],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9265819,0.05098401,0.007428888,0.0007498733,0.000150733,0.000227563,0.0006771373,0.0001611744,0.01303871],"genre_scores_gemma":[0.963015,0.02481006,0.004435835,0.0002731112,0.00005459434,0.00005846018,0.001393588,0.00002280882,0.005936389],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002700736,"threshold_uncertainty_score":0.005488932,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2011681488","doi":"10.1016/j.bmcl.2009.05.029","title":"Discovery and structural analysis of Eph receptor tyrosine kinase inhibitors","year":2009,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Axon Guidance and Neuronal Signaling","field":"Neuroscience","cited_by":102,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Toronto; Structural Genomics Consortium","funders":"National Institute of General Medical Sciences; Wellcome Trust","keywords":"Erythropoietin-producing hepatocellular (Eph) receptor; Chemistry; Tyrosine kinase; Receptor tyrosine kinase; Ephrin; EPH receptor A2; Kinase; Receptor Protein-Tyrosine Kinases; Biochemistry; Cell biology; Signal transduction; Biology","authors":[{"name":"Yongmun Choi","is_ca":false},{"name":"Farisa Syeda","is_ca":true},{"name":"John R. Walker","is_ca":true},{"name":"P.J. Finerty","is_ca":true},{"name":"Dominic Cuerrier","is_ca":true},{"name":"Amy Wojciechowski","is_ca":false},{"name":"Qingsong Liu","is_ca":false},{"name":"Sirano Dhe‐Paganon","is_ca":true},{"name":"Nathanael S. Gray","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01351588916174887,"gpt":0.241852296537233,"spread":0.2283364073754841,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001566891,0.0003832125,0.0003757478,0.000267261,0.0002207798,0.0004325909,0.0004192357,0.0001870925,0.001522098],"category_scores_gemma":[0.0001853174,0.0001989062,0.0002672626,0.0001750078,0.0001494349,0.0002565469,0.0001827785,0.0005064037,0.0002862994],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000587166,"about_ca_system_score_gemma":0.0004206272,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001049874,"about_ca_topic_score_gemma":0.00213182,"domain_scores_codex":[0.9999275,0.00001087595,0.00000436222,0.000009129825,0.00002806017,0.00002007165],"domain_scores_gemma":[0.9999713,0.000005118165,0.000008086965,0.000002789649,0.000005986903,0.000006773125],"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":[0.001447305,0.0005671856,0.000916254,0.000354608,0.0001175944,0.00114138,0.0001102119,0.02723773,0.8917426,0.01251291,0.002384526,0.0614677],"study_design_scores_gemma":[0.0003847576,0.001512728,0.001422774,0.00003547092,0.0001391459,0.0009972041,0.00006912577,0.02349961,0.9391348,0.001318471,0.03145009,0.00003575932],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9588364,0.01186426,0.01324119,0.0009276677,0.00011857,0.0002286937,0.001154331,0.0001868513,0.01344195],"genre_scores_gemma":[0.9781345,0.008122656,0.007313386,0.0001710133,0.00002041626,0.00004270378,0.001103263,0.00002573355,0.005066327],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001522098,"threshold_uncertainty_score":0.005091906,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2177096160","doi":"10.1016/j.bmcl.2003.10.068","title":"Discovery of thiophene-2-carboxylic acids as potent inhibitors of HCV NS5B polymerase and HCV subgenomic RNA replication. Part 2: Tertiary amides","year":2004,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Hepatitis C virus research","field":"Medicine","cited_by":101,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Armand Frappier Museum","funders":"","keywords":"Subgenomic mRNA; NS5B; Chemistry; Polymerase; Hepatitis C virus; Virology; RNA polymerase; RNA-dependent RNA polymerase; Enzyme; Virus; RNA; Hepacivirus; Biochemistry; Biology; Gene","authors":[{"name":"Sanjoy K. Das","is_ca":false},{"name":"Carl Poisson","is_ca":false},{"name":"Marc Courchesne","is_ca":false},{"name":"Mélanie Proulx","is_ca":false},{"name":"Constantin G. Yannopoulos","is_ca":false},{"name":"Nghe Nguyen‐Ba","is_ca":false},{"name":"Richard C. Bethell","is_ca":false},{"name":"Martine Hamel","is_ca":false},{"name":"Lucille L’Heureux","is_ca":false},{"name":"Maud David","is_ca":false},{"name":"Olivier Nicolas","is_ca":false},{"name":"Philippe Courtemanche-Asselin","is_ca":false},{"name":"Stéphanie Brunette","is_ca":false},{"name":"Darius Bilimoria","is_ca":false},{"name":"Jean Bédard","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01201152207787342,"gpt":0.2571372446555651,"spread":0.2451257225776917,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003755841,0.0004921132,0.0002906035,0.0002714751,0.0001230765,0.0002619108,0.0002598025,0.0002754928,0.00212175],"category_scores_gemma":[0.0002228957,0.0001632432,0.0002750136,0.0001544947,0.00018873,0.0002054476,0.0002086124,0.0003824809,0.0004785417],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001864484,"about_ca_system_score_gemma":0.0002324086,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002865007,"about_ca_topic_score_gemma":0.000822502,"domain_scores_codex":[0.9999228,0.00002027552,0.000004502602,0.000007987796,0.00001929657,0.00002518032],"domain_scores_gemma":[0.9999281,0.0000142386,0.00001324368,0.000008330742,0.00001448288,0.00002168125],"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":[0.0006176216,0.0001456493,0.0001972242,0.0001823281,0.0000288765,0.0002927265,0.00004928335,0.001494632,0.9667553,0.0009132907,0.0005152927,0.02880784],"study_design_scores_gemma":[0.0004857301,0.003636699,0.00170464,0.00002380058,0.00005807009,0.000520431,0.00002191612,0.001873602,0.978029,0.0002786429,0.0133476,0.00001999212],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9631037,0.01413503,0.01029687,0.0004193971,0.0001604861,0.0004124956,0.0004777851,0.0001257768,0.01086848],"genre_scores_gemma":[0.9726398,0.01324658,0.006187738,0.0002151724,0.00008999205,0.0001565365,0.0005019398,0.00002193434,0.006940329],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00212175,"threshold_uncertainty_score":0.00709796,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2149148148","doi":"10.1016/j.bmcl.2013.12.070","title":"Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses","year":2013,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"HIV/AIDS drug development and treatment","field":"Medicine","cited_by":101,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Merck Canada Inc. (Canada)","funders":"","keywords":"Reverse transcriptase; Reverse-transcriptase inhibitor; Nucleoside Reverse Transcriptase Inhibitor; Nucleoside; Mutant; Chemistry; Virology; Nucleotidyltransferase; Bioavailability; Pharmacokinetics; Human immunodeficiency virus (HIV); Lentivirus; Pharmacology; RNA; Biology; Viral disease; Biochemistry","authors":[{"name":"Bernard Côté","is_ca":true},{"name":"Jason D. Burch","is_ca":true},{"name":"Ernest Asante‐Appiah","is_ca":true},{"name":"Chris Bayly","is_ca":true},{"name":"Leanne L. Bedard","is_ca":true},{"name":"Marc Blouin","is_ca":true},{"name":"Louis‐Charles Campeau","is_ca":true},{"name":"Elizabeth Cauchon","is_ca":true},{"name":"Manuel Chan","is_ca":true},{"name":"Amandine Chefson","is_ca":true},{"name":"Nathalie Coulombe","is_ca":true},{"name":"Wanda Cromlish","is_ca":true},{"name":"Smita Debnath","is_ca":true},{"name":"Denis Deschênes","is_ca":true},{"name":"Kristina Dupont‐Gaudet","is_ca":true},{"name":"Jean‐Pierre Falgueyret","is_ca":true},{"name":"Robert Forget","is_ca":true},{"name":"Sébastien Gagné","is_ca":true},{"name":"Danny Gauvreau","is_ca":true},{"name":"Mélina Girardin","is_ca":true},{"name":"Sébastien Guiral","is_ca":true},{"name":"Eric Langlois","is_ca":true},{"name":"Chun Sing Li","is_ca":true},{"name":"Natalie Nguyen","is_ca":true},{"name":"Rob Papp","is_ca":true},{"name":"Serge Plamondon","is_ca":true},{"name":"Amélie Roy","is_ca":true},{"name":"Stéphanie Roy","is_ca":true},{"name":"Ria Seliniotakis","is_ca":true},{"name":"Miguel St‐Onge","is_ca":true},{"name":"Stéphane G. Ouellet","is_ca":true},{"name":"Paul Tawa","is_ca":true},{"name":"Jean‐François Truchon","is_ca":true},{"name":"Joe P. Vacca","is_ca":true},{"name":"Youwei Yan","is_ca":false},{"name":"Yves Ducharme","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01159597471099505,"gpt":0.2173978595742735,"spread":0.2058018848632784,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001704812,0.00037795,0.0004619076,0.0002487345,0.000152144,0.0005023633,0.0004447959,0.0003110897,0.001556377],"category_scores_gemma":[0.0001410386,0.0002096915,0.0002473788,0.0001606227,0.000182616,0.0002734076,0.00022311,0.0008245874,0.0005856882],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002683101,"about_ca_system_score_gemma":0.0003939545,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005507672,"about_ca_topic_score_gemma":0.00178197,"domain_scores_codex":[0.9999393,0.000009573582,0.000004267869,0.00000970674,0.00001973189,0.00001735681],"domain_scores_gemma":[0.9999615,0.000005973476,0.00000674561,0.000003238716,0.000006481711,0.0000160289],"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":[0.001154427,0.0005187452,0.0006646111,0.0003383333,0.00006697403,0.00101423,0.00007504593,0.001692115,0.9168422,0.001946916,0.001853121,0.07383333],"study_design_scores_gemma":[0.00168705,0.00879648,0.005340275,0.00006170632,0.0002687754,0.005643234,0.00008335332,0.006010151,0.9195251,0.0008614322,0.05166623,0.0000562],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9545472,0.01478905,0.01234571,0.0009312188,0.0002368586,0.000359884,0.001779847,0.0003649666,0.01464515],"genre_scores_gemma":[0.9747449,0.009343785,0.006428216,0.0003064312,0.00004594324,0.00005604496,0.001519033,0.00003927702,0.00751635],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001556377,"threshold_uncertainty_score":0.005206585,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2180740327","doi":"10.1016/j.bmcl.2003.12.032","title":"Non-nucleoside inhibitors of the hepatitis C virus NS5B polymerase: discovery of benzimidazole 5-carboxylic amide derivatives with low-nanomolar potency","year":2004,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Hepatitis C virus research","field":"Medicine","cited_by":90,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Boehringer Ingelheim (Canada)","funders":"","keywords":"NS5B; Chemistry; Benzimidazole; Polymerase; RNA polymerase; Potency; Hepatitis C virus; Enzyme; RNA-dependent RNA polymerase; Biochemistry; Nucleotidyltransferase; Virology; Nucleoside; Structure–activity relationship; Stereochemistry; RNA; Virus; Hepacivirus; In vitro; Biology","authors":[{"name":"Pierre L. Beaulieu","is_ca":true},{"name":"Michael Bös","is_ca":true},{"name":"Yves Bousquet","is_ca":true},{"name":"Patrick DeRoy","is_ca":true},{"name":"Gulrez Fazal","is_ca":true},{"name":"Jean Gauthier","is_ca":true},{"name":"James Gillard","is_ca":true},{"name":"Sylvie Goulet","is_ca":true},{"name":"Ginette McKercher","is_ca":true},{"name":"Marc‐André Poupart","is_ca":true},{"name":"Serge Valois","is_ca":true},{"name":"George Kukolj","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.005753133087768912,"gpt":0.2231402569191561,"spread":0.2173871238313872,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003208337,0.0005490243,0.0003589569,0.0001588389,0.0001254914,0.0002431016,0.0004569172,0.0003079888,0.001382852],"category_scores_gemma":[0.0002637289,0.0001849737,0.0002033308,0.00009632435,0.0001910478,0.00019551,0.0001798564,0.0005551912,0.0004371221],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003696504,"about_ca_system_score_gemma":0.0002669725,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006571327,"about_ca_topic_score_gemma":0.002882461,"domain_scores_codex":[0.9999001,0.00001971407,0.000006280335,0.00001186059,0.00003284124,0.0000290515],"domain_scores_gemma":[0.9999169,0.00001868485,0.00001671739,0.000007375916,0.00001650219,0.0000238522],"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":[0.0005687238,0.0002154574,0.0002986826,0.0002488364,0.00001967781,0.000336596,0.00005955574,0.0009148713,0.9622831,0.000921601,0.0005804609,0.03355228],"study_design_scores_gemma":[0.0007656951,0.006634481,0.003796955,0.00006226888,0.00007762662,0.001435595,0.00003591831,0.002983103,0.9594893,0.0003054711,0.02437002,0.00004354862],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9330876,0.03293481,0.01765352,0.0005732438,0.0002077209,0.0004128595,0.0006101296,0.0002875718,0.01423261],"genre_scores_gemma":[0.9688447,0.01388315,0.009412859,0.0003151342,0.00007378317,0.0001154138,0.0008686596,0.00003488535,0.006451493],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001382852,"threshold_uncertainty_score":0.004626095,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2116428224","doi":"10.1016/j.bmcl.2005.12.071","title":"Identification of a potent and selective non-basic cathepsin K inhibitor","year":2006,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Cell Adhesion Molecules Research","field":"Medicine","cited_by":88,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Merck Canada Inc. (Canada)","funders":"","keywords":"Chemistry; Isostere; Cathepsin; Enzyme inhibitor; Pharmacokinetics; Pharmacology; Cathepsin D; Stereochemistry; Biochemistry; In vitro; Enzyme; Biology","authors":[{"name":"Chun Sing Li","is_ca":true},{"name":"Denis Deschênes","is_ca":true},{"name":"Sylvie Desmarais","is_ca":true},{"name":"Jean‐Pierre Falgueyret","is_ca":true},{"name":"Jacques Yves Gauthier","is_ca":true},{"name":"Donald B. Kimmel","is_ca":false},{"name":"Serge Léger","is_ca":true},{"name":"Frédéric Massé","is_ca":true},{"name":"Mary E. McGrath","is_ca":false},{"name":"Daniel J. McKay","is_ca":true},{"name":"M. David Percival","is_ca":true},{"name":"Denis Riendeau","is_ca":true},{"name":"Sevgi B. Rodan","is_ca":false},{"name":"Michel Thérien","is_ca":true},{"name":"Vouy-Linh Truong","is_ca":true},{"name":"Gregg Wesolowski","is_ca":false},{"name":"Robert Zamboni","is_ca":true},{"name":"W. Cameron Black","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.006104866527583561,"gpt":0.237253668909904,"spread":0.2311488023823204,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000219494,0.0005240753,0.0005064956,0.0002564258,0.0002054799,0.0004950914,0.0004604711,0.0003936818,0.001443532],"category_scores_gemma":[0.0001789561,0.0002284095,0.0002877849,0.0001752663,0.0001786758,0.0002778523,0.0002840745,0.0007468442,0.0008338494],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004870263,"about_ca_system_score_gemma":0.0005085968,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005097946,"about_ca_topic_score_gemma":0.001155867,"domain_scores_codex":[0.9998742,0.00001322859,0.00001180992,0.00002257711,0.00003553596,0.00004263424],"domain_scores_gemma":[0.9999293,0.00001162493,0.00001159155,0.000007882119,0.00001531079,0.00002430412],"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":[0.000525744,0.0002266534,0.0003367692,0.0001045978,0.00002623476,0.0002523678,0.00002839831,0.0002776981,0.984018,0.0003242195,0.0007182506,0.01316102],"study_design_scores_gemma":[0.000254763,0.001509262,0.001849412,0.000009021181,0.00006301173,0.001699005,0.00001785683,0.00104108,0.9805489,0.00009105468,0.01290254,0.00001402882],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9536473,0.01430236,0.02034904,0.000832577,0.0002122509,0.0004561334,0.001367543,0.0004011988,0.008431708],"genre_scores_gemma":[0.9751171,0.005713838,0.007393466,0.0003011548,0.00005846638,0.0001183004,0.002623955,0.00003125662,0.008642276],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001443532,"threshold_uncertainty_score":0.004829109,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2079392960","doi":"10.1016/j.bmcl.2008.12.075","title":"N-Benzyl-1-heteroaryl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamides as inhibitors of co-activator associated arginine methyltransferase 1 (CARM1)","year":2008,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Cancer-related gene regulation","field":"Biochemistry, Genetics and Molecular Biology","cited_by":87,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Pyrogenesis (Canada)","funders":"","keywords":"Chemistry; Trifluoromethyl; Pyrazole; Thiazole; Benzofuran; Stereochemistry; Pyridine; Chemical synthesis; Carboxamide; Isoindoline; Enzyme inhibitor; Lipophilicity; Enzyme; Biochemistry; Medicinal chemistry; In vitro; Organic chemistry","authors":[{"name":"Martin Allan","is_ca":true},{"name":"Sukhdev Manku","is_ca":true},{"name":"Éric Therrien","is_ca":true},{"name":"Natalie Nguyen","is_ca":true},{"name":"Sylvia Styhler","is_ca":false},{"name":"Marie‐France Robert","is_ca":false},{"name":"Anne-Christine Goulet","is_ca":false},{"name":"Andrea J. Petschner","is_ca":false},{"name":"Gabi Rahil","is_ca":false},{"name":"A. Robert MacLeod","is_ca":false},{"name":"Robert Déziel","is_ca":true},{"name":"Jeffrey M. Besterman","is_ca":false},{"name":"Hannah Nguyen","is_ca":false},{"name":"Amal Wahhab","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01082196093115802,"gpt":0.2389423912286672,"spread":0.2281204302975092,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002882668,0.0002950477,0.0003518514,0.0002482928,0.0001938275,0.0001628333,0.000643723,0.000317192,0.001535153],"category_scores_gemma":[0.0001872276,0.0001392553,0.0002044229,0.0001978493,0.0001804193,0.0002215931,0.0001916547,0.0004450584,0.0004385302],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003718715,"about_ca_system_score_gemma":0.000230295,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001052572,"about_ca_topic_score_gemma":0.002286785,"domain_scores_codex":[0.9998387,0.00003064764,0.000007980531,0.00002264665,0.00003124871,0.0000687752],"domain_scores_gemma":[0.9999417,0.00001181468,0.00001746689,0.000007343321,0.000007582545,0.00001398883],"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":[0.00130837,0.0002517697,0.0004453981,0.0002368667,0.00003499333,0.0004408501,0.0001033143,0.00107978,0.9614193,0.001846562,0.001358757,0.03147409],"study_design_scores_gemma":[0.0006609238,0.004021481,0.005101255,0.0000279529,0.00008427557,0.001380722,0.00004537762,0.002957948,0.9652242,0.0001726102,0.02028423,0.00003897567],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9654339,0.01180199,0.006904985,0.0002830683,0.0002254021,0.0001245575,0.0003359291,0.0003803616,0.01450974],"genre_scores_gemma":[0.9915379,0.003315392,0.002019727,0.00007944725,0.0000406374,0.00006334111,0.000253634,0.00001770518,0.002672211],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001535153,"threshold_uncertainty_score":0.005135596,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2963807856","doi":"10.1016/j.bmcl.2019.07.033","title":"Applications of amide isosteres in medicinal chemistry","year":2019,"lang":"fi","type":"review","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":86,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"SignalChem (Canada); Xenon Pharmaceuticals (Canada)","funders":"","keywords":"Chemistry; Amide; Combinatorial chemistry; Selectivity; Drug discovery; Chemical synthesis; Stereochemistry; Organic chemistry; Biochemistry; Catalysis; In vitro","authors":[{"name":"Shaoyi Sun","is_ca":true},{"name":"Qi Jia","is_ca":true},{"name":"Zaihui Zhang","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01398679725144445,"gpt":0.2682008081704351,"spread":0.2542140109189906,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0008055991,0.001325254,0.001247857,0.002404912,0.0003006172,0.00106677,0.0008694412,0.0009158118,0.004346726],"category_scores_gemma":[0.0006720079,0.0004263082,0.0004936852,0.002341054,0.0007703063,0.001649036,0.000985865,0.002820327,0.003072309],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006634241,"about_ca_system_score_gemma":0.0005387641,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005949331,"about_ca_topic_score_gemma":0.0007365142,"domain_scores_codex":[0.9998197,0.00002739806,0.00001772775,0.00003948354,0.00006410389,0.0000315585],"domain_scores_gemma":[0.9997929,0.0001018861,0.00003224434,0.00001229735,0.00003937243,0.00002132725],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"not_applicable","study_design_scores_codex":[0.000130564,0.0001546117,0.0001103695,0.009303699,0.00007691122,0.0003200143,0.00007497419,0.000759117,0.01363178,0.01708167,0.01747556,0.9408807],"study_design_scores_gemma":[0.00003452855,0.0002050817,0.0003520579,0.001098323,0.00006824154,0.0006639207,0.00003187704,0.0001696989,0.004832395,0.004214352,0.9883023,0.00002719838],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.0003643963,0.994258,0.000901297,0.000198949,0.0004327542,0.00001051381,0.0000346292,0.00001899323,0.003780358],"genre_scores_gemma":[0.003091486,0.9931357,0.0009440903,0.0002782904,0.0003752908,0.00001643178,0.00005323938,0.000003903448,0.002101477],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.004346726,"threshold_uncertainty_score":0.01454127,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2174996297","doi":"10.1016/j.bmcl.2005.03.093","title":"Synthesis and biological evaluation of sulfonamidooxazoles and β-keto sulfones: selective inhibitors of 11β-hydroxysteroid dehydrogenase type I","year":2005,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Hormonal Regulation and Hypertension","field":"Medicine","cited_by":86,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Women's Health Research Institute","funders":"","keywords":"Chemistry; 11β-hydroxysteroid dehydrogenase type 1; Hydroxysteroid dehydrogenase; Dehydrogenase; Enzyme; Biological activity; Biochemistry; Type 2 diabetes; Enzyme inhibitor; Metabolic pathway; Metabolic syndrome; Chemical synthesis; Pharmacology; Stereochemistry; In vitro; Diabetes mellitus; Endocrinology; Biology","authors":[{"name":"Jason Xiang","is_ca":true},{"name":"Manus Ipek","is_ca":false},{"name":"Vipin Suri","is_ca":false},{"name":"Walter Massefski","is_ca":false},{"name":"Ning Pan","is_ca":false},{"name":"Ying Ge","is_ca":false},{"name":"May Tam","is_ca":false},{"name":"Yuzhe Xing","is_ca":false},{"name":"James F. Tobin","is_ca":false},{"name":"Xin Xu","is_ca":false},{"name":"Steve Tam","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.02931735420241064,"gpt":0.264080591185097,"spread":0.2347632369826864,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003814084,0.0005430034,0.000318987,0.0002761584,0.0002247065,0.0002320151,0.0004277784,0.0003215086,0.001363636],"category_scores_gemma":[0.0002220981,0.0001859828,0.0002968744,0.0002056563,0.0002307442,0.0002862405,0.0001835679,0.0003509421,0.0003667082],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003402134,"about_ca_system_score_gemma":0.0003850908,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009260217,"about_ca_topic_score_gemma":0.001630248,"domain_scores_codex":[0.9998792,0.00002675423,0.00001524761,0.00001560668,0.00002670547,0.00003638905],"domain_scores_gemma":[0.9999017,0.00001450539,0.00002129587,0.000009815173,0.00002122952,0.00003148779],"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":[0.001098387,0.0003645625,0.0004492362,0.0002442464,0.00004664255,0.0004933937,0.0001207727,0.001732558,0.9765876,0.000959867,0.0006000319,0.01730273],"study_design_scores_gemma":[0.0003686455,0.004449148,0.001549034,0.00001660046,0.00007410429,0.0005319398,0.00005607513,0.001068893,0.9804622,0.0001257719,0.01127827,0.00001939619],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9743585,0.01233864,0.005984271,0.0003042305,0.0001757966,0.0002476606,0.0007455145,0.0001214486,0.005724052],"genre_scores_gemma":[0.9833882,0.008872532,0.00322362,0.00008546642,0.00003746535,0.00007942451,0.0007469533,0.00001382718,0.003552491],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001363636,"threshold_uncertainty_score":0.004561841,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2177490936","doi":"10.1016/j.bmcl.2006.08.130","title":"Identification of a novel boron-containing antibacterial agent (AN0128) with anti-inflammatory activity, for the potential treatment of cutaneous diseases","year":2006,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Antimicrobial Peptides and Activities","field":"Immunology and Microbiology","cited_by":85,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"NAEJA-RGM Pharmaceuticals (Canada)","funders":"","keywords":"Chemistry; Antifungal; Borane; Bacteria; Antibacterial activity; Minimum inhibitory concentration; Pharmacology; Combinatorial chemistry; Stereochemistry; In vitro; Organic chemistry; Microbiology; Biochemistry","authors":[{"name":"Stephen J. Baker","is_ca":false},{"name":"Tsutomu Akama","is_ca":false},{"name":"Yong-Kang Zhang","is_ca":false},{"name":"Vittorio Sauro","is_ca":true},{"name":"Chetan Pandit","is_ca":true},{"name":"Rajeshwar Singh","is_ca":true},{"name":"Maureen Kully","is_ca":true},{"name":"Jehangir Khan","is_ca":true},{"name":"Jacob J. Plattner","is_ca":false},{"name":"Stephen J. Benkovic","is_ca":false},{"name":"Ving Lee","is_ca":false},{"name":"Kirk R. Maples","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.007399834479937383,"gpt":0.2073106320138081,"spread":0.1999107975338707,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001733336,0.0003824454,0.0003511688,0.0003138121,0.0001983152,0.0003496325,0.0003451581,0.0005522662,0.002033796],"category_scores_gemma":[0.0001444903,0.0001495933,0.0002758598,0.0001524385,0.000152218,0.0003111339,0.000203248,0.000466267,0.0004767878],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002926872,"about_ca_system_score_gemma":0.0003783318,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004595628,"about_ca_topic_score_gemma":0.0009858796,"domain_scores_codex":[0.9999454,0.0000103042,0.000005179696,0.00001013114,0.00001237771,0.00001659524],"domain_scores_gemma":[0.9999515,0.000006832156,0.000008976469,0.000003540806,0.0000101211,0.00001906508],"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":[0.0005298157,0.00008834249,0.0001975438,0.0001384159,0.000008814232,0.0001252272,0.000009135994,0.000199714,0.9847314,0.0002254296,0.0001505562,0.01359563],"study_design_scores_gemma":[0.0002963772,0.002571411,0.002268434,0.00003360459,0.00007912974,0.001232778,0.0000269903,0.001735826,0.9794489,0.0002146723,0.01206812,0.00002388186],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.961815,0.01502227,0.01341883,0.0006977511,0.0001538803,0.0002721821,0.0009796011,0.0002076375,0.007432918],"genre_scores_gemma":[0.9637527,0.006344952,0.02252552,0.0003180974,0.00005297796,0.00009888595,0.001671806,0.00002277355,0.005212216],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002033796,"threshold_uncertainty_score":0.006803751,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2164023349","doi":"10.1016/j.bmcl.2004.03.032","title":"Synthesis and biological activity of some structural modifications of pancratistatin","year":2004,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Chemical synthesis and alkaloids","field":"Chemistry","cited_by":84,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Brock University","funders":"National Cancer Institute; National Science Foundation","keywords":"Chemistry; Chemical synthesis; Biological activity; Structure–activity relationship; Stereochemistry; Combinatorial chemistry; Biochemistry; In vitro","authors":[{"name":"Uwe Rinner","is_ca":false},{"name":"Heather Hillebrenner","is_ca":false},{"name":"David R. Adams","is_ca":false},{"name":"Tomáš Hudlický","is_ca":true},{"name":"George R. Pettit","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01704422632593838,"gpt":0.229517035675093,"spread":0.2124728093491546,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009775967,0.0003195181,0.0001882788,0.0001414757,0.000161908,0.0001396911,0.0002754256,0.0002342102,0.001397949],"category_scores_gemma":[0.0001192846,0.000116233,0.0002601286,0.0001529568,0.0001517528,0.0002252404,0.000137655,0.0003901725,0.0003383213],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001934062,"about_ca_system_score_gemma":0.0001769277,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006081579,"about_ca_topic_score_gemma":0.0007620186,"domain_scores_codex":[0.9999187,0.00001245546,0.000009571012,0.0000184887,0.00001649954,0.00002435579],"domain_scores_gemma":[0.9999269,0.000007259018,0.00002278957,0.00001373689,0.00001298406,0.0000163028],"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":[0.0002246901,0.00002920276,0.00007108907,0.00004916421,0.000006738083,0.0001385354,0.00001928608,0.0002519877,0.995783,0.0001247921,0.00003977575,0.003261816],"study_design_scores_gemma":[0.00003102285,0.0007822154,0.001025857,0.000003048865,0.00002139496,0.0002652052,0.00000878752,0.00021622,0.9940664,0.00003954409,0.003533701,0.000006506],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9854048,0.003166391,0.003809847,0.0001586338,0.0000774244,0.00009676712,0.0005927908,0.00007751468,0.006615864],"genre_scores_gemma":[0.9922377,0.00150377,0.00266338,0.0000882452,0.00002411993,0.00002404269,0.0004799239,0.00002373987,0.002955068],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001397949,"threshold_uncertainty_score":0.00467658,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2177323728","doi":"10.1016/s0960-894x(03)00042-8","title":"Discovery of a potent and selective agonist of the prostaglandin EP4 receptor","year":2003,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Inflammatory mediators and NSAID effects","field":"Medicine","cited_by":83,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Merck Canada Inc. (Canada)","funders":"","keywords":"Chemistry; Agonist; Prostaglandin E2 receptor; Receptor; Potency; Prostaglandin; Pharmacology; Stereochemistry; Chemical synthesis; Biochemistry; In vitro; Medicine","authors":[{"name":"Xavier Billot","is_ca":true},{"name":"Anne Châteauneuf","is_ca":true},{"name":"Nathalie Chauret","is_ca":true},{"name":"Danielle Denis","is_ca":true},{"name":"Gillian Greig","is_ca":true},{"name":"Marie-Claude Mathieu","is_ca":true},{"name":"Kathleen M. Metters","is_ca":true},{"name":"Deborah Slipetz","is_ca":true},{"name":"Robert N. Young","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.005161414637041062,"gpt":0.2017075447798815,"spread":0.1965461301428405,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002682247,0.0003629998,0.0004112978,0.0003371356,0.0002538585,0.0004096856,0.0005284184,0.000465429,0.002764454],"category_scores_gemma":[0.0002538348,0.0002369375,0.0002879013,0.0001346719,0.0002212338,0.0002901703,0.0004069135,0.0007564682,0.0008531822],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002727375,"about_ca_system_score_gemma":0.0003154372,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002789026,"about_ca_topic_score_gemma":0.000677416,"domain_scores_codex":[0.9998982,0.00001720857,0.000005666801,0.00001418628,0.00002401147,0.00004069057],"domain_scores_gemma":[0.9999501,0.00001051658,0.00000678018,0.000005193515,0.000008733165,0.00001872596],"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":[0.0004609785,0.0001592015,0.0002489728,0.0001316774,0.00003406212,0.0006966664,0.0000508114,0.000379208,0.9706896,0.001194645,0.001352158,0.0246021],"study_design_scores_gemma":[0.0003462445,0.002628508,0.001941546,0.00002369237,0.0001117372,0.002842805,0.000062544,0.001575879,0.9448422,0.0005806169,0.04500854,0.00003566621],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.93647,0.01411972,0.03025481,0.002546658,0.0004240164,0.0004112151,0.001272037,0.0003723876,0.01412911],"genre_scores_gemma":[0.9598677,0.008181633,0.0141911,0.0009173618,0.0001517362,0.0001451397,0.001581389,0.00004189145,0.01492205],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002764454,"threshold_uncertainty_score":0.009248078,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2151512266","doi":"10.1016/j.bmcl.2011.01.057","title":"Synthesis and evaluation of 1,5-diaryl-substituted tetrazoles as novel selective cyclooxygenase-2 (COX-2) inhibitors","year":2011,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Inflammatory mediators and NSAID effects","field":"Medicine","cited_by":83,"is_retracted":false,"has_abstract":false,"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; Tetrazole; Cyclooxygenase; Sodium azide; Potency; Stereochemistry; IC50; Azide; In vitro; Docking (animal); Chemical synthesis; Selectivity; Enzyme; Combinatorial chemistry; Biochemistry; Organic chemistry; Catalysis","authors":[{"name":"Baker Jawabrah Al‐Hourani","is_ca":true},{"name":"Sai Kiran Sharma","is_ca":true},{"name":"Jonathan Y. Mane","is_ca":true},{"name":"Jack A. Tuszyński","is_ca":true},{"name":"Vickie E. Baracos","is_ca":true},{"name":"Torsten Knieß","is_ca":false},{"name":"Mavanur R. Suresh","is_ca":true},{"name":"Jens Pietzsch","is_ca":false},{"name":"Frank Wuest","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.02481132400596815,"gpt":0.2470114856822387,"spread":0.2222001616762706,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003633382,0.0004738622,0.0005339108,0.0003234729,0.0002530533,0.0003023043,0.0006874026,0.0003800732,0.001824442],"category_scores_gemma":[0.0002642137,0.0002761948,0.0003543017,0.0002945643,0.0002008197,0.0003946347,0.0002053837,0.0005125768,0.0006789723],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004094098,"about_ca_system_score_gemma":0.0003871868,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004600563,"about_ca_topic_score_gemma":0.001313225,"domain_scores_codex":[0.9998648,0.00003141201,0.00001859081,0.00001734865,0.00002866997,0.00003905297],"domain_scores_gemma":[0.9999307,0.000008854396,0.00001776013,0.00000924501,0.00001600992,0.00001736933],"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":[0.000815913,0.0003631779,0.0001889575,0.0004413991,0.00005646662,0.0005409251,0.0001160689,0.001737161,0.9709165,0.001247161,0.0009726795,0.02260368],"study_design_scores_gemma":[0.0006144285,0.005412396,0.001231258,0.00005418422,0.0001532277,0.000874607,0.00004495505,0.002560293,0.9668305,0.0002062245,0.02197625,0.00004168374],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9299812,0.03329132,0.0215206,0.0007263869,0.0005695591,0.0005242382,0.001690881,0.0003596006,0.0113361],"genre_scores_gemma":[0.9653946,0.01550326,0.01092366,0.0001954846,0.00007713467,0.0002189867,0.001216036,0.00003786406,0.006433042],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001824442,"threshold_uncertainty_score":0.006103337,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2005015636","doi":"10.1016/j.bmcl.2008.12.097","title":"Identification of 4-hydroxyquinolines inhibitors of p300/CBP histone acetyltransferases","year":2008,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Histone Deacetylase Inhibitors Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":83,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Western University","funders":"","keywords":"Chemistry; Histone Acetyltransferases; Acetylation; Quinoline; Histone; Histone acetyltransferase; Enzyme; Biochemistry; In vitro; Western blot; Histone H3; Acetyltransferases; Molecular biology","authors":[{"name":"Antonello Mai","is_ca":false},{"name":"Dante Rotili","is_ca":false},{"name":"Domenico Tarantino","is_ca":false},{"name":"Angela Nebbioso","is_ca":false},{"name":"Sabrina Castellano","is_ca":false},{"name":"Gianluca Sbardella","is_ca":false},{"name":"Marc Tini","is_ca":true},{"name":"Lucia Altucci","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01098323127332414,"gpt":0.2608450851638985,"spread":0.2498618538905744,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003284659,0.0004315639,0.0005687036,0.0005145086,0.0001842146,0.0003220322,0.0006813094,0.0003399121,0.001997585],"category_scores_gemma":[0.0002362092,0.0002418784,0.000410727,0.000221597,0.000168128,0.0002035709,0.000184492,0.0005710149,0.0005311602],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005091046,"about_ca_system_score_gemma":0.0002779525,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001255674,"about_ca_topic_score_gemma":0.002822361,"domain_scores_codex":[0.9998668,0.00002561623,0.0000121169,0.00001876459,0.00003718047,0.00003936561],"domain_scores_gemma":[0.9998866,0.00002286493,0.00002424881,0.000009639736,0.00003312303,0.00002352473],"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":[0.0008506125,0.0003018034,0.0004990452,0.0001359853,0.00005528605,0.0002465983,0.00004113682,0.001022867,0.9811644,0.0005243714,0.0004902227,0.01466773],"study_design_scores_gemma":[0.0007197575,0.003994122,0.00333425,0.00002832473,0.0001758841,0.0009630877,0.00004252747,0.003451159,0.9721715,0.0001985008,0.01488897,0.00003194165],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9612618,0.01634047,0.0114782,0.0004309542,0.0001672929,0.0004474671,0.001032118,0.0004715751,0.008370109],"genre_scores_gemma":[0.9831364,0.004875432,0.00451983,0.0001667281,0.00004077573,0.0001185461,0.001671823,0.00003898283,0.00543153],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001997585,"threshold_uncertainty_score":0.006682575,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2077715783","doi":"10.1016/j.bmcl.2008.12.045","title":"Novel HDAC6 isoform selective chiral small molecule histone deacetylase inhibitors","year":2008,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Histone Deacetylase Inhibitors Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":82,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Discovery Centre; Pyrogenesis (Canada)","funders":"","keywords":"Chemistry; HDAC6; Moiety; Gene isoform; Selectivity; Histone deacetylase; Stereochemistry; Piperazine; Small molecule; Biochemistry; Histone; Gene; Organic chemistry; Catalysis","authors":[{"name":"David Smil","is_ca":true},{"name":"Sukhdev Manku","is_ca":false},{"name":"Yves Chantigny","is_ca":false},{"name":"Silvana Leit","is_ca":false},{"name":"Amal Wahhab","is_ca":false},{"name":"Theresa P. Yan","is_ca":false},{"name":"Marielle Fournel","is_ca":false},{"name":"Christiane R. Maroun","is_ca":false},{"name":"Zuomei Li","is_ca":false},{"name":"Anne‐Marie Lemieux","is_ca":true},{"name":"Alina Nicolescu","is_ca":true},{"name":"Jubrail Rahil","is_ca":true},{"name":"Sylvain Lefèbvre","is_ca":false},{"name":"Anthony Panetta","is_ca":false},{"name":"Jeffrey M. Besterman","is_ca":true},{"name":"Robert Déziel","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01508043549799046,"gpt":0.2478901298616038,"spread":0.2328096943636133,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002447057,0.0005248674,0.0004572749,0.000258889,0.0002160489,0.0003402854,0.0006254998,0.0002801618,0.004110365],"category_scores_gemma":[0.0001149495,0.0001800345,0.000210443,0.0002634713,0.0001815482,0.0003001115,0.0003043375,0.0007661526,0.001099667],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004996294,"about_ca_system_score_gemma":0.0002628601,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005451436,"about_ca_topic_score_gemma":0.001968024,"domain_scores_codex":[0.9999008,0.00001179391,0.000005885446,0.00001669011,0.00002324414,0.00004165345],"domain_scores_gemma":[0.9999557,0.000005078372,0.000009456708,0.000004840625,0.000006908409,0.00001805288],"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":[0.0008748532,0.0002360939,0.0003381931,0.000277398,0.00004930849,0.000340372,0.00005036538,0.001446955,0.9299958,0.006063804,0.003414245,0.05691259],"study_design_scores_gemma":[0.0003405131,0.001045025,0.0005584496,0.0000110517,0.000046141,0.0004837253,0.00001968848,0.002590875,0.9633318,0.0005067914,0.03103948,0.00002661888],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8280098,0.01955579,0.06502649,0.001881603,0.001531106,0.0006006686,0.002739186,0.001961986,0.07869329],"genre_scores_gemma":[0.9546227,0.008086347,0.01601416,0.0005606742,0.0001536912,0.0001383444,0.001048147,0.0001049917,0.01927071],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004110365,"threshold_uncertainty_score":0.01375055,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2095103987","doi":"10.1016/j.bmcl.2006.07.074","title":"Improved replicon cellular activity of non-nucleoside allosteric inhibitors of HCV NS5B polymerase: From benzimidazole to indole scaffolds","year":2006,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Hepatitis C virus research","field":"Medicine","cited_by":82,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Boehringer Ingelheim (Canada)","funders":"","keywords":"NS5B; Benzimidazole; Chemistry; Replicon; Allosteric regulation; Hepatitis C virus; RNA polymerase; Polymerase; Indole test; Stereochemistry; Virology; Enzyme; Biochemistry; Virus; RNA; Biology; Hepacivirus","authors":[{"name":"Pierre L. Beaulieu","is_ca":true},{"name":"James Gillard","is_ca":true},{"name":"Darren Bykowski","is_ca":true},{"name":"Christian Brochu","is_ca":true},{"name":"Nathalie Dansereau","is_ca":true},{"name":"Jean‐Simon Duceppe","is_ca":true},{"name":"Bruno Haché","is_ca":true},{"name":"Araz Jakalian","is_ca":true},{"name":"Lisette Lagacé","is_ca":true},{"name":"Steven R. LaPlante","is_ca":true},{"name":"Ginette McKercher","is_ca":true},{"name":"Elaine Moreau","is_ca":true},{"name":"Stéphane Perreault","is_ca":true},{"name":"Timothy A. Stammers","is_ca":true},{"name":"Louise Thauvette","is_ca":true},{"name":"J. V. Warrington","is_ca":true},{"name":"George Kukolj","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.008459677690689796,"gpt":0.2462839894662787,"spread":0.2378243117755889,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001591432,0.0002593689,0.0002021628,0.0001454767,0.0001379612,0.0002367576,0.0002716499,0.0001822936,0.001382842],"category_scores_gemma":[0.000127356,0.0001035734,0.0001773336,0.0001263079,0.0001366382,0.000178848,0.0001353298,0.0003716583,0.0003091016],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003724683,"about_ca_system_score_gemma":0.0002059795,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001504999,"about_ca_topic_score_gemma":0.003511897,"domain_scores_codex":[0.9999433,0.000009616279,0.00000424485,0.000008495244,0.00001028699,0.0000241121],"domain_scores_gemma":[0.9999566,0.00001157046,0.000008536111,0.000007634532,0.000006280899,0.000009290831],"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":[0.0003158827,0.00007848429,0.0001094812,0.00005436723,0.000003935676,0.00007272227,0.0000392753,0.0004277786,0.9929582,0.0002937423,0.0001417093,0.005504468],"study_design_scores_gemma":[0.00004457391,0.0006058111,0.0009634386,0.00000455793,0.00001494186,0.00007677701,0.000009712712,0.001046127,0.9951095,0.00003030822,0.002087442,0.000006805949],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9900919,0.002058537,0.003249243,0.0001315661,0.00004026082,0.00003563994,0.0002540191,0.0002123429,0.003926395],"genre_scores_gemma":[0.995833,0.0007215172,0.001334212,0.00002865609,0.000007958373,0.00001265292,0.0002696483,0.00001748827,0.001774952],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001504999,"threshold_uncertainty_score":0.004626036,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2105946373","doi":"10.1016/j.bmcl.2006.04.011","title":"Lysine sulfonamides as novel HIV-protease inhibitors: Nε-Acyl aromatic α-amino acids","year":2006,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"HIV/AIDS drug development and treatment","field":"Medicine","cited_by":82,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Micropharma (Canada)","funders":"","keywords":"Chemistry; Sulfonamide; Protease; Lysine; Protease inhibitor (pharmacology); Enzyme inhibitor; Potency; Human immunodeficiency virus (HIV); Amino acid; Stereochemistry; Biochemistry; In vitro; Enzyme; Virology","authors":[{"name":"Brent R. Stranix","is_ca":true},{"name":"Jean-François Lavallée","is_ca":false},{"name":"Guy Sévigny","is_ca":false},{"name":"Jocelyn Yelle","is_ca":false},{"name":"Valérie Perron","is_ca":false},{"name":"Nicholas LeBerre","is_ca":false},{"name":"Dominik Herbart","is_ca":false},{"name":"Jinzi J. Wu","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.007701417357923256,"gpt":0.217946821613672,"spread":0.2102454042557487,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002561532,0.0003775837,0.0002569219,0.0001657413,0.0001390387,0.0002691869,0.0002986649,0.0002583626,0.0009340392],"category_scores_gemma":[0.0001535441,0.0001291194,0.000144311,0.0001125329,0.0001963902,0.0002785967,0.0001884142,0.0003198049,0.000380936],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003117646,"about_ca_system_score_gemma":0.0001910872,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004170141,"about_ca_topic_score_gemma":0.0009345083,"domain_scores_codex":[0.9999212,0.00002245982,0.00000603427,0.000009455182,0.00001615076,0.00002474624],"domain_scores_gemma":[0.9999553,0.000008836813,0.000009418956,0.000003506123,0.000007029677,0.00001596056],"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":[0.001854539,0.0001992969,0.000595789,0.0002838448,0.00003158503,0.0007844486,0.0001213603,0.001806447,0.9289407,0.003716033,0.0008467349,0.06081932],"study_design_scores_gemma":[0.0004746387,0.00591007,0.002452788,0.0000371298,0.00009259106,0.001455382,0.00006481391,0.003923752,0.9476042,0.000546374,0.03740895,0.00002936604],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9579763,0.02091813,0.005932415,0.0003208759,0.0002284413,0.0001071786,0.0001712386,0.0001962526,0.01414919],"genre_scores_gemma":[0.9832114,0.009508113,0.002532953,0.0001538418,0.00005536024,0.0000347964,0.0001247907,0.00001256243,0.004366368],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009340392,"threshold_uncertainty_score":0.003124654,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1979129343","doi":"10.1016/j.bmcl.2007.06.097","title":"Cyanine dye conjugates as probes for live cell imaging","year":2007,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"RNA Interference and Gene Delivery","field":"Biochemistry, Genetics and Molecular Biology","cited_by":80,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Toronto","funders":"Camille and Henry Dreyfus Foundation; Arnold and Mabel Beckman Foundation; Alfred P. Sloan Foundation; National Science Foundation","keywords":"Cyanine; Chemistry; Fluorescence; Conjugate; Live cell imaging; Combinatorial chemistry; Absorption (acoustics); Chemical synthesis; Peptide; Photochemistry; Cell; Biochemistry; Optics; In vitro","authors":[{"name":"Jay R. Carreon","is_ca":false},{"name":"Kelly M. Stewart","is_ca":true},{"name":"Kerry P. Mahon","is_ca":false},{"name":"Stephanie Shin","is_ca":false},{"name":"Shana O. Kelley","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.004991926715855919,"gpt":0.2339613329717584,"spread":0.2289694062559025,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0009533342,0.0007423472,0.0005405647,0.0006367642,0.0006386072,0.0008340505,0.001237152,0.001279775,0.002271316],"category_scores_gemma":[0.0005098197,0.0007130312,0.0002216561,0.0005167353,0.0005726877,0.001139401,0.0007022574,0.001370476,0.0008893378],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001363833,"about_ca_system_score_gemma":0.0003799611,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007438375,"about_ca_topic_score_gemma":0.001801441,"domain_scores_codex":[0.9995798,0.0001381948,0.00001908903,0.00007469333,0.0001117775,0.00007645939],"domain_scores_gemma":[0.9996547,0.0001595433,0.00004800403,0.00004564851,0.000045611,0.00004649091],"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":[0.0001219714,0.00001464617,0.0000468127,0.0001136603,0.000006588614,0.0000948437,0.00004385442,0.000227328,0.9917966,0.002255852,0.0003967924,0.004880969],"study_design_scores_gemma":[0.00001242437,0.00004814235,0.0001360085,0.000006866911,0.00000725754,0.0001412806,0.000009670553,0.00132986,0.9928482,0.0002033816,0.005250365,0.000006610448],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6104137,0.0342809,0.3262945,0.001548049,0.0006162899,0.0003447818,0.0006731926,0.002611692,0.02321695],"genre_scores_gemma":[0.8473684,0.01516248,0.1134575,0.0005749448,0.0001357487,0.0006278106,0.000775608,0.0005827729,0.02131466],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002271316,"threshold_uncertainty_score":0.009895325,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2108885056","doi":"10.1016/j.bmcl.2004.04.005","title":"Benzimidazoles as new potent and selective DP antagonists for the treatment of allergic rhinitis","year":2004,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Antimicrobial Peptides and Activities","field":"Immunology and Microbiology","cited_by":79,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Merck Canada Inc. (Canada)","funders":"","keywords":"Chemistry; Benzimidazole; Potency; Chemical synthesis; Stereochemistry; Pharmacology; Receptor; Structure–activity relationship; In vitro; Combinatorial chemistry; Biochemistry; Organic chemistry","authors":[{"name":"Christian Beaulieu","is_ca":true},{"name":"Zhaoyin Wang","is_ca":true},{"name":"Danielle Denis","is_ca":true},{"name":"Gillian Greig","is_ca":true},{"name":"Sonia Lamontagne","is_ca":true},{"name":"Gary P. O’Neill","is_ca":true},{"name":"Deborah Slipetz","is_ca":true},{"name":"Jennifer Wang","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01080118314724838,"gpt":0.2242502771875565,"spread":0.2134490940403081,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002388606,0.0003326544,0.0005281095,0.0003081197,0.0002048119,0.000349342,0.000484667,0.0003497541,0.001963919],"category_scores_gemma":[0.0001743815,0.0001694247,0.000206134,0.0002665328,0.0002210437,0.0002333723,0.0002060598,0.0009891066,0.000468258],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003808324,"about_ca_system_score_gemma":0.0002759789,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001317229,"about_ca_topic_score_gemma":0.005425952,"domain_scores_codex":[0.9998811,0.00001933856,0.000008419299,0.00001121983,0.00003003373,0.00004977281],"domain_scores_gemma":[0.9999622,0.000006994677,0.000008194477,0.000002203871,0.000006463864,0.00001392138],"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":[0.003258674,0.0005806963,0.0009959382,0.000762987,0.00007181834,0.001237726,0.0001630949,0.0007531805,0.7676469,0.002262232,0.003721416,0.2185453],"study_design_scores_gemma":[0.01215561,0.02996021,0.03890315,0.0003132416,0.000958286,0.01067154,0.0002911183,0.007735572,0.6557459,0.00156927,0.24149,0.0002061522],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8213194,0.1587037,0.004512894,0.001628395,0.0006220561,0.0002577387,0.0004682944,0.0003840238,0.01210349],"genre_scores_gemma":[0.9291862,0.06026353,0.00283674,0.0005415665,0.0003002071,0.00007305001,0.0006100659,0.00002443329,0.006164271],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001963919,"threshold_uncertainty_score":0.006569922,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2044125881","doi":"10.1016/s0960-894x(00)00614-4","title":"Studies directed towards the refinement of the pancratistatin cytotoxic pharmacophore","year":2001,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Chemical synthesis and alkaloids","field":"Chemistry","cited_by":78,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"Brock University","funders":"National Cancer Institute; Natural Sciences and Engineering Research Council of Canada","keywords":"Pharmacophore; Chemistry; Stereochemistry; Combinatorial chemistry; Cytotoxic T cell; Cytotoxicity; In vitro; Biochemistry","authors":[{"name":"James McNulty","is_ca":true},{"name":"Justin Mao","is_ca":true},{"name":"Romelo Gibe","is_ca":true},{"name":"Ruowei Mo","is_ca":true},{"name":"Sonja Wolf","is_ca":true},{"name":"George R. Pettit","is_ca":false},{"name":"Delbert L. Herald","is_ca":false},{"name":"Michael R. Boyd","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.03024555144642733,"gpt":0.2661995936185067,"spread":0.2359540421720794,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004705552,0.0003436571,0.0003933662,0.0001922975,0.0002814383,0.000370573,0.0005193969,0.0003504067,0.002104116],"category_scores_gemma":[0.0005299425,0.0001677596,0.0002430539,0.0001956825,0.0004535857,0.0004058546,0.0003005367,0.000851956,0.0004753216],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004096909,"about_ca_system_score_gemma":0.000590526,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001632396,"about_ca_topic_score_gemma":0.00169527,"domain_scores_codex":[0.9998379,0.00004370092,0.0000103685,0.00002412209,0.00003654237,0.00004729587],"domain_scores_gemma":[0.9998596,0.00004173475,0.00002298267,0.000019632,0.00003414272,0.00002200284],"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":[0.001633902,0.0005753389,0.0006470646,0.0003306138,0.00004426428,0.00060853,0.0002141699,0.006650428,0.949605,0.006628318,0.0007451963,0.0323172],"study_design_scores_gemma":[0.0005100699,0.005430135,0.001734566,0.00003323483,0.0001012097,0.001291887,0.00009802546,0.004610362,0.9576879,0.0007263913,0.02774313,0.00003289334],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9706638,0.003689002,0.009639416,0.0008023686,0.00008474405,0.0004608513,0.0003377126,0.0001152467,0.01420675],"genre_scores_gemma":[0.9819769,0.004624667,0.006983478,0.00036569,0.00003780669,0.00007156736,0.0003775265,0.00004281454,0.005519533],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002104116,"threshold_uncertainty_score":0.007038951,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2044837518","doi":"10.1016/j.bmcl.2009.09.008","title":"Scaffold-based design and synthesis of potent N-type calcium channel blockers","year":2009,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Ion channel regulation and function","field":"Biochemistry, Genetics and Molecular Biology","cited_by":78,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"Canada's Michael Smith Genome Sciences Centre; University of British Columbia; University of Calgary","funders":"Canadian Institutes of Health Research; Canada Research Chairs","keywords":"Flunarizine; Chemistry; Calcium channel; hERG; N-type calcium channel; Pharmacology; Potassium channel; Calcium; Voltage-dependent calcium channel; Analgesic; L-type calcium channel; T-type calcium channel; Channel blocker; Ion channel; Receptor; Biophysics; Biochemistry","authors":[{"name":"Gerald W. Zamponi","is_ca":true},{"name":"Zhong‐Ping Feng","is_ca":true},{"name":"Lingyun Zhang","is_ca":false},{"name":"Hossein Pajouhesh","is_ca":false},{"name":"Yanbing Ding","is_ca":false},{"name":"Francesco Belardetti","is_ca":false},{"name":"Hassan Pajouhesh","is_ca":false},{"name":"David Dolphin","is_ca":true},{"name":"Lester A. Mitscher","is_ca":false},{"name":"Terrance P. Snutch","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01596925122990442,"gpt":0.2285352593986838,"spread":0.2125660081687794,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002518436,0.0004787924,0.0003694121,0.0002845475,0.0002585112,0.0004371221,0.0005708835,0.0003148276,0.001495294],"category_scores_gemma":[0.0002597908,0.0001847766,0.0002800216,0.0002260521,0.0001891663,0.0003522255,0.0003455031,0.0004462445,0.0006151763],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003123403,"about_ca_system_score_gemma":0.0004459067,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003628648,"about_ca_topic_score_gemma":0.001389963,"domain_scores_codex":[0.9999057,0.00001787194,0.000009171331,0.0000181811,0.00001905229,0.00002993752],"domain_scores_gemma":[0.9999369,0.00001078435,0.00001700924,0.000006942068,0.00001172128,0.00001655233],"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":[0.0004922548,0.0003053406,0.000231202,0.0004604798,0.00004523191,0.0006373702,0.000152733,0.006561164,0.9463155,0.005800868,0.001175156,0.03782265],"study_design_scores_gemma":[0.0004083391,0.003061121,0.0005436341,0.00005885403,0.00009425329,0.0005318982,0.00007415083,0.007189245,0.9544886,0.001238764,0.0322663,0.00004487475],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8695508,0.009258385,0.09242914,0.0006740665,0.0003085353,0.000796107,0.001020387,0.0008875804,0.02507503],"genre_scores_gemma":[0.9577776,0.005594621,0.03083781,0.0001604828,0.0000450727,0.0001635552,0.0007310511,0.00005595891,0.004633884],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001495294,"threshold_uncertainty_score":0.00500226,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2009792376","doi":"10.1016/j.bmcl.2007.09.062","title":"Synthesis, antibacterial activity, and quantitative structure–activity relationships of new (Z)-2-(nitroimidazolylmethylene)-3(<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" altimg=\"si2.gif\" overflow=\"scroll\"><mml:mrow><mml:mn>2</mml:mn><mml:mi>H</mml:mi></mml:mrow></mml:math>)-benzofuranone derivatives","year":2007,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":78,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Carleton University","funders":"","keywords":"Chemistry; Bacillus subtilis; Staphylococcus epidermidis; Klebsiella pneumoniae; Gram-positive bacteria; Antibacterial activity; Bacteria; Nitroimidazole; Gram; Quantitative structure–activity relationship; Stereochemistry; Antibacterial agent; Structure–activity relationship; Staphylococcus aureus; Escherichia coli; Organic chemistry; Biochemistry; Antibiotics; In vitro; Biology","authors":[{"name":"Narges Hadj-esfandiari","is_ca":false},{"name":"Latifeh Navidpour","is_ca":false},{"name":"Hooman Shadnia","is_ca":true},{"name":"Nasrin Samadi","is_ca":false},{"name":"Mohammad Ali Faramarzi","is_ca":false},{"name":"Abbas Shafiee","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.0271254541325098,"gpt":0.2465360343276425,"spread":0.2194105801951327,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002396363,0.0002309736,0.000177727,0.0002480922,0.00009618446,0.0001626098,0.0002030077,0.0001582249,0.002696244],"category_scores_gemma":[0.0002491026,0.0001773539,0.0002059222,0.0001669795,0.0001701533,0.0002254436,0.0001050899,0.0002557961,0.0004239937],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003390926,"about_ca_system_score_gemma":0.0002525147,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001056305,"about_ca_topic_score_gemma":0.002530629,"domain_scores_codex":[0.9999062,0.00002470041,0.00001054217,0.00001823241,0.00002035914,0.00002005687],"domain_scores_gemma":[0.9998949,0.0000247751,0.00003174501,0.00001270086,0.00001663458,0.00001923424],"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":[0.0005218622,0.0001506674,0.0002797967,0.0001193377,0.00001621787,0.00003938545,0.00003812592,0.0009686459,0.9869412,0.0003710118,0.0002645325,0.01028916],"study_design_scores_gemma":[0.0001271427,0.002783141,0.004400192,0.00001455459,0.00003700022,0.0001517245,0.00001662262,0.001571186,0.9864093,0.00008289241,0.004391623,0.00001454768],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9771869,0.009401426,0.006110598,0.0002393709,0.00004468075,0.0001603333,0.001869194,0.0001091847,0.004878263],"genre_scores_gemma":[0.983639,0.003952655,0.004929737,0.00008345224,0.00002296384,0.0001136655,0.001501746,0.00001812936,0.005738697],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002696244,"threshold_uncertainty_score":0.009019852,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2069388207","doi":"10.1016/j.bmcl.2011.02.024","title":"Synthesis and SAR of novel benzoxaboroles as a new class of β-lactamase inhibitors","year":2011,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Antibiotic Resistance in Bacteria","field":"Biochemistry, Genetics and Molecular Biology","cited_by":77,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"NAEJA-RGM Pharmaceuticals (Canada)","funders":"","keywords":"Enterobacter cloacae; Chemistry; Enzyme; Linker; Ceftazidime; Lactam; Enterobacteriaceae; Stereochemistry; Microbiology; Bacteria; Biochemistry; Escherichia coli; Biology; Pseudomonas aeruginosa; Gene","authors":[{"name":"Yi Xia","is_ca":false},{"name":"Kathy Y. Cao","is_ca":false},{"name":"Yasheen Zhou","is_ca":false},{"name":"M.R. Alley","is_ca":false},{"name":"Fernando Rock","is_ca":false},{"name":"Manisha Mohan","is_ca":false},{"name":"Maliwan Meewan","is_ca":false},{"name":"Stephen J. Baker","is_ca":false},{"name":"Sarah Lux","is_ca":false},{"name":"Charles Z. Ding","is_ca":false},{"name":"Guofeng Jia","is_ca":true},{"name":"Maureen Kully","is_ca":true},{"name":"Jacob J. Plattner","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01296202836964265,"gpt":0.2187256589766611,"spread":0.2057636306070184,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002101436,0.0003855882,0.0003629648,0.0001865618,0.0002118799,0.0004263828,0.0004612199,0.0003351408,0.002328792],"category_scores_gemma":[0.0001372095,0.0002184015,0.0002397394,0.0001722599,0.0001838761,0.0003816243,0.0002615195,0.0006505492,0.0007081584],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003548159,"about_ca_system_score_gemma":0.0003284562,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004468298,"about_ca_topic_score_gemma":0.001305035,"domain_scores_codex":[0.9999325,0.00001229074,0.00000551701,0.000008789813,0.00001375926,0.00002715873],"domain_scores_gemma":[0.9999608,0.00000483884,0.00000816906,0.000002953656,0.000006145846,0.00001705355],"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":[0.001108307,0.0004255863,0.0003404122,0.0006585688,0.00005430398,0.0006872162,0.0001858542,0.004559128,0.9326176,0.004730458,0.00229226,0.05234035],"study_design_scores_gemma":[0.001482534,0.009497145,0.003018093,0.0001800949,0.0001385767,0.001392115,0.0001122151,0.006705115,0.8716668,0.001399247,0.1043013,0.0001067813],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9049836,0.04484611,0.02401891,0.001961726,0.0004983986,0.0005794753,0.001541835,0.0004869103,0.02108307],"genre_scores_gemma":[0.9460213,0.02969645,0.01000986,0.0004693027,0.0001091581,0.0001955675,0.001367761,0.00004130256,0.0120893],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002328792,"threshold_uncertainty_score":0.007790565,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1964072554","doi":"10.1016/j.bmcl.2003.09.011","title":"Synthesis of 17β-estradiol platinum(II) complexes: biological evaluation on breast cancer cell lines","year":2003,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Metal complexes synthesis and properties","field":"Medicine","cited_by":76,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"College of the North Atlantic; Université du Québec à Trois-Rivières","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Steroid; Estrone; Hydroxymethyl; Chemical synthesis; MCF-7; Stereochemistry; Pyridine; Estrogen; In vitro; Estrogen receptor; Biological activity; Ligand (biochemistry); Molecule; Platinum; Side chain; Cancer cell lines; Cell culture; Human breast; Breast cancer; Cancer cell; Biochemistry; Cancer; Medicinal chemistry; Internal medicine; Organic chemistry; Receptor; Hormone","authors":[{"name":"Caroline Descôteaux","is_ca":true},{"name":"Josée Provencher-Mandeville","is_ca":true},{"name":"Isabelle Mathieu","is_ca":true},{"name":"Valérie Perron","is_ca":true},{"name":"Sanat K. Mandal","is_ca":true},{"name":"Éric Asselin","is_ca":true},{"name":"Gervais Bérubé","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.05841581325533945,"gpt":0.2771090536348045,"spread":0.218693240379465,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000249797,0.0002665328,0.0003658942,0.00021145,0.0002172459,0.0002158463,0.0003210999,0.000238234,0.001597061],"category_scores_gemma":[0.0002687261,0.0002379216,0.0001948966,0.0002395779,0.0001127312,0.0001604595,0.0001954809,0.0002458861,0.0005079347],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002089701,"about_ca_system_score_gemma":0.0001656978,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005884795,"about_ca_topic_score_gemma":0.0008368128,"domain_scores_codex":[0.9998564,0.00002529277,0.00002414088,0.00003555325,0.00003672794,0.00002190266],"domain_scores_gemma":[0.9998915,0.00002452094,0.00001947182,0.00001922708,0.00002802809,0.00001726943],"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":[0.0002908343,0.00004614336,0.000173606,0.0001215019,0.00001369959,0.00009736062,0.00005522168,0.0002279362,0.9947102,0.0001293504,0.0001552707,0.003978812],"study_design_scores_gemma":[0.00002664893,0.0001830488,0.0002559299,0.000002932647,0.00001613593,0.0001186565,0.00001000243,0.0001503543,0.9964206,0.0000143246,0.002799485,0.000001872146],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9684477,0.005187297,0.01745984,0.0002217479,0.0001660486,0.0004499443,0.001200337,0.0003096276,0.006557467],"genre_scores_gemma":[0.9774228,0.003195107,0.009437556,0.00008176436,0.00002031105,0.0002217475,0.001219,0.00006674781,0.008334967],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001597061,"threshold_uncertainty_score":0.005342662,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W4205254622","doi":"10.1016/j.bmcl.2003.10.067","title":"Discovery of thiophene-2-carboxylic acids as potent inhibitors of HCV NS5B polymerase and HCV subgenomic RNA replication. Part 1: Sulfonamides","year":2004,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Hepatitis C virus research","field":"Medicine","cited_by":76,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Armand Frappier Museum","funders":"","keywords":"Subgenomic mRNA; NS5B; Chemistry; Polymerase; Hepatitis C virus; RNA polymerase; Virology; RNA-dependent RNA polymerase; Enzyme; Virus; RNA; Biochemistry; Hepacivirus; Biology; Gene","authors":[{"name":"Laval Chan","is_ca":true},{"name":"Sanjoy Das","is_ca":false},{"name":"T. Jagadeeswar Reddy","is_ca":false},{"name":"Carl Poisson","is_ca":false},{"name":"Mélanie Proulx","is_ca":false},{"name":"Oswy Z. Pereira","is_ca":false},{"name":"Marc Courchesne","is_ca":false},{"name":"Caroline Roy","is_ca":false},{"name":"Wuyi Wang","is_ca":false},{"name":"Arshad Siddiqui","is_ca":false},{"name":"Constantin G. Yannopoulos","is_ca":false},{"name":"Nghe Nguyen‐Ba","is_ca":false},{"name":"Denis Labrecque","is_ca":false},{"name":"Richard C. Bethell","is_ca":false},{"name":"Martine Hamel","is_ca":false},{"name":"Philippe Courtemanche-Asselin","is_ca":false},{"name":"Lucille L’Heureux","is_ca":false},{"name":"Maud David","is_ca":false},{"name":"Olivier Nicolas","is_ca":false},{"name":"Stéphanie Brunette","is_ca":false},{"name":"Darius Bilimoria","is_ca":false},{"name":"Jean Bédard","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01365543763139279,"gpt":0.2600341722963538,"spread":0.246378734664961,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003634492,0.0005257735,0.000285656,0.0003136661,0.0001427888,0.0002579476,0.0002731547,0.0003016502,0.001634004],"category_scores_gemma":[0.0002267457,0.0001848554,0.0002761779,0.0001729428,0.0001973285,0.0002228908,0.0002322832,0.000332402,0.000367605],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002469292,"about_ca_system_score_gemma":0.0002973843,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004301895,"about_ca_topic_score_gemma":0.001329107,"domain_scores_codex":[0.9999121,0.00002423038,0.000005732378,0.000009218295,0.00002277204,0.00002595711],"domain_scores_gemma":[0.9999336,0.00001439715,0.00001270044,0.000006920793,0.00001365889,0.0000185925],"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":[0.000809149,0.0001779382,0.0003020614,0.0002475561,0.00004285718,0.0003286471,0.00008666789,0.001630394,0.9468811,0.001990635,0.000930832,0.04657218],"study_design_scores_gemma":[0.0005330159,0.004037474,0.002098774,0.00003080707,0.00006805382,0.0005217502,0.00003229224,0.002741234,0.9633259,0.000406624,0.02617508,0.00002899006],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.956715,0.02095024,0.01067598,0.00047844,0.0002267263,0.0003757342,0.0004559541,0.0001664437,0.009955616],"genre_scores_gemma":[0.9655136,0.01849667,0.006761342,0.0002476164,0.00008926992,0.0001770018,0.0004968258,0.00002182519,0.008195824],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001634004,"threshold_uncertainty_score":0.005466282,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1972966873","doi":"10.1016/s0960-894x(01)00419-x","title":"The discovery of anthranilic acid-Based MMP inhibitors. Part 2: SAR of the 5-position and P11 groups","year":2001,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Protease and Inhibitor Mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":75,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Women's Health Research Institute","funders":"","keywords":"Chemistry; Anthranilic acid; Matrix metalloproteinase; Enzyme inhibitor; Hydroxamic acid; Chemical synthesis; Pharmacology; Stereochemistry; Enzyme; Biochemistry; In vitro","authors":[{"name":"Jeremy I. Levin","is_ca":true},{"name":"J. Chen","is_ca":false},{"name":"Mingyang Du","is_ca":false},{"name":"Michael E. Hogan","is_ca":false},{"name":"Scott L. Kincaid","is_ca":false},{"name":"Frances C. Nelson","is_ca":false},{"name":"Aradhana M. Venkatesan","is_ca":false},{"name":"Timothy C. Wehr","is_ca":false},{"name":"Arie Zask","is_ca":false},{"name":"John F. DiJoseph","is_ca":false},{"name":"Loran M. Killar","is_ca":false},{"name":"Stacey Skala","is_ca":false},{"name":"Anita Sung","is_ca":false},{"name":"Michele A. Sharr","is_ca":false},{"name":"Catherine Roth","is_ca":false},{"name":"Guofeng Jin","is_ca":false},{"name":"Rebecca Cowling","is_ca":false},{"name":"K M Mohler","is_ca":false},{"name":"Roy A. Black","is_ca":false},{"name":"Carl J. March","is_ca":false},{"name":"J.S. Skotnicki","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.005083510434417063,"gpt":0.1967989206287672,"spread":0.1917154101943501,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002607748,0.000444464,0.0002771843,0.0002415656,0.0001358488,0.00037641,0.0002690114,0.0002799015,0.001462176],"category_scores_gemma":[0.0002250062,0.000227012,0.0002879556,0.0001620523,0.0002627148,0.0004098854,0.0001701574,0.0007269862,0.0006401413],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003358153,"about_ca_system_score_gemma":0.000212206,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002978335,"about_ca_topic_score_gemma":0.000488806,"domain_scores_codex":[0.9999436,0.00001130865,0.000003976565,0.000007117648,0.00001871297,0.00001530007],"domain_scores_gemma":[0.999946,0.00001473256,0.00001152162,0.000004129482,0.000006969082,0.00001666138],"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":[0.001048206,0.0003708156,0.0003716813,0.0007230602,0.00004381813,0.0007212506,0.0001235728,0.00406054,0.8797017,0.004760456,0.002941234,0.1051337],"study_design_scores_gemma":[0.0005801982,0.003436953,0.003540673,0.00008642912,0.00009546954,0.001503994,0.00003781611,0.003867947,0.9025576,0.001686176,0.08255946,0.0000472444],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7891136,0.151151,0.03234276,0.003028134,0.0006364043,0.0004035385,0.001004275,0.0004458663,0.02187447],"genre_scores_gemma":[0.8732545,0.09844608,0.01118724,0.0006543071,0.0003194049,0.0001058112,0.0009805036,0.00002779308,0.01502431],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001462176,"threshold_uncertainty_score":0.004891396,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2144360055","doi":"10.1016/j.bmcl.2004.06.063","title":"Synthesis and structural–activity relationships of 3-hydroxyquinazoline-2,4-dione antibacterial agents","year":2004,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Quinazolinone synthesis and applications","field":"Chemistry","cited_by":75,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"NAEJA-RGM Pharmaceuticals (Canada)","funders":"","keywords":"DNA gyrase; Chemistry; Antibacterial activity; Antibacterial agent; Gram; Stereochemistry; In vitro; Potency; Structure–activity relationship; Antibiotics; Chemical synthesis; Combinatorial chemistry; Escherichia coli; Bacteria; Biochemistry; Biology; Genetics","authors":[{"name":"Tuan P. Tran","is_ca":false},{"name":"Edmund L. Ellsworth","is_ca":false},{"name":"Michael A. Stier","is_ca":false},{"name":"John M. Domagala","is_ca":false},{"name":"Hollis D. Showalter","is_ca":false},{"name":"Stephen J. Gracheck","is_ca":false},{"name":"Martin A. Shapiro","is_ca":false},{"name":"Themis E. Joannides","is_ca":false},{"name":"Rajeshwar Singh","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01873872148372895,"gpt":0.2356754728806598,"spread":0.2169367513969309,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002346035,0.0002523871,0.0002844016,0.0003250129,0.0001411317,0.0002482715,0.0003112567,0.0001679196,0.002119842],"category_scores_gemma":[0.0002000753,0.000153175,0.0002088584,0.0001662733,0.000171269,0.0001917014,0.0001309017,0.0002770588,0.0003985007],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002894116,"about_ca_system_score_gemma":0.0002436112,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000754566,"about_ca_topic_score_gemma":0.001619663,"domain_scores_codex":[0.9999197,0.00002011549,0.000009617795,0.00001093888,0.00001642828,0.00002318916],"domain_scores_gemma":[0.9999074,0.00002305846,0.00002507769,0.000007451709,0.00001691887,0.00002011798],"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":[0.0007688174,0.0002476936,0.0005052743,0.0001737084,0.00002441889,0.0002302889,0.00007721625,0.001340428,0.9785219,0.0006936638,0.0002197789,0.01719684],"study_design_scores_gemma":[0.0002681447,0.005127516,0.005184189,0.00001979689,0.0000845851,0.0003749202,0.0000352342,0.001362688,0.9768266,0.0001690637,0.01052676,0.00002054938],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9725395,0.01705229,0.003193869,0.0001896246,0.00006066669,0.0001531809,0.0005697036,0.00007863899,0.006162529],"genre_scores_gemma":[0.9925435,0.003315686,0.001539692,0.00006943423,0.00001948482,0.00002556799,0.0004256381,0.000008388864,0.002052594],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002119842,"threshold_uncertainty_score":0.007091582,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2096210836","doi":"10.1016/j.bmcl.2005.07.072","title":"Parallel synthesis and biological evaluation of 5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4(3H)-one cytotoxic agents selective for p21-deficient cells","year":2005,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Cancer-related Molecular Pathways","field":"Medicine","cited_by":75,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Women's Health Research Institute","funders":"","keywords":"Chemistry; Cytotoxic T cell; Cell culture; Cytotoxicity; Combinatorial chemistry; Cell growth; Cancer cell; Cell cycle checkpoint; Cell cycle; In vitro; Stereochemistry; Cell; Biochemistry; Cancer","authors":[{"name":"Lee D. Jennings","is_ca":true},{"name":"Scott L. Kincaid","is_ca":false},{"name":"Yanong D. Wang","is_ca":false},{"name":"Girija Krishnamurthy","is_ca":false},{"name":"Carl F. Beyer","is_ca":false},{"name":"John P. McGinnis","is_ca":false},{"name":"Miriam Miranda","is_ca":false},{"name":"Carolyn Discafani","is_ca":false},{"name":"Sridhar K. Rabindran","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.04654943090218015,"gpt":0.2779115750975344,"spread":0.2313621441953542,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002447092,0.0003814092,0.0004942448,0.0003481712,0.0002677091,0.0002198676,0.0003773396,0.000307585,0.001365073],"category_scores_gemma":[0.0001887877,0.0001611341,0.0002023319,0.0003465759,0.0002010996,0.0001710268,0.0001949304,0.0003373118,0.0004074688],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003669453,"about_ca_system_score_gemma":0.0004074571,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007104056,"about_ca_topic_score_gemma":0.001735484,"domain_scores_codex":[0.9998555,0.00003051464,0.00001740888,0.00002590677,0.00003561369,0.00003504688],"domain_scores_gemma":[0.9998802,0.00001920661,0.0000194032,0.00002405027,0.00002913032,0.00002804413],"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":[0.0002018167,0.00008023137,0.00004984839,0.00005917379,0.000007565849,0.00006353673,0.00003091924,0.0002711033,0.9942055,0.000184085,0.00008353051,0.004762663],"study_design_scores_gemma":[0.00006009589,0.0006972704,0.0003178063,0.000001983969,0.00002194989,0.00008995807,0.000007295397,0.0002142087,0.996511,0.0000244738,0.002050073,0.000003828024],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9771263,0.004510623,0.01124153,0.0001467086,0.0001083735,0.0004138906,0.0006693414,0.0002354199,0.005547794],"genre_scores_gemma":[0.982635,0.003002332,0.008426479,0.00004805578,0.00003319406,0.0002117041,0.001040104,0.00004814449,0.004554977],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001365073,"threshold_uncertainty_score":0.00456661,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2126664383","doi":"10.1016/s0960-894x(02)01045-4","title":"Pyridazinones as selective cyclooxygenase-2 inhibitors","year":2003,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Inflammatory mediators and NSAID effects","field":"Medicine","cited_by":74,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Merck Canada Inc. (Canada)","funders":"","keywords":"Chemistry; Cyclooxygenase; Pharmacology; Enzyme inhibitor; Enzyme; Biochemistry","authors":[{"name":"Chun Sing Li","is_ca":true},{"name":"Christine Brideau","is_ca":true},{"name":"Chi Chung Chan","is_ca":true},{"name":"Chantal Savoie","is_ca":true},{"name":"David Claveau","is_ca":true},{"name":"S. Charleson","is_ca":true},{"name":"Robert J. Gordon","is_ca":true},{"name":"Gillian Greig","is_ca":true},{"name":"Jacques Yves Gauthier","is_ca":true},{"name":"Cheuk K. Lau","is_ca":true},{"name":"Denis Riendeau","is_ca":true},{"name":"Michel Thérien","is_ca":true},{"name":"Elizabeth Wong","is_ca":true},{"name":"Petpiboon Prasit","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.005133143473262556,"gpt":0.2205274394933624,"spread":0.2153942960200998,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000190006,0.0003443366,0.0004409202,0.000289591,0.0001788638,0.0003809277,0.00045511,0.0002773334,0.001765548],"category_scores_gemma":[0.0001227666,0.0002463592,0.0001316752,0.0002346098,0.0001927712,0.0003442173,0.0003084565,0.0007263407,0.0005014837],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003936529,"about_ca_system_score_gemma":0.0002136275,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009460134,"about_ca_topic_score_gemma":0.002859204,"domain_scores_codex":[0.9999141,0.00001407042,0.000005608321,0.00001110008,0.00002234303,0.00003293105],"domain_scores_gemma":[0.9999669,0.000006012349,0.000007846512,0.000003676194,0.0000043528,0.00001123038],"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":[0.003353055,0.000257831,0.0007366871,0.0008517356,0.00007261964,0.0007798339,0.0001501026,0.002742646,0.871592,0.005285156,0.004249046,0.1099293],"study_design_scores_gemma":[0.002115843,0.005942274,0.005897063,0.00008287772,0.0002455096,0.002065484,0.00008408015,0.005801216,0.8828998,0.00100918,0.09378476,0.00007194508],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8582279,0.1044168,0.01056617,0.001219851,0.0007835367,0.0002652391,0.001104807,0.0007849536,0.02263065],"genre_scores_gemma":[0.9526844,0.03320077,0.002553475,0.0002417684,0.00009706907,0.00008203477,0.0006395171,0.00002307993,0.01047786],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001765548,"threshold_uncertainty_score":0.005906343,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1969269185","doi":"10.1016/j.bmcl.2005.04.013","title":"Estrogen receptor ligands: design and synthesis of new 2-arylindene-1-ones","year":2005,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Estrogen and related hormone effects","field":"Biochemistry, Genetics and Molecular Biology","cited_by":72,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Women's Health Research Institute","funders":"","keywords":"Chemistry; Estrogen receptor; Selectivity; Ligand (biochemistry); Stereochemistry; Chemical synthesis; Potency; Estrogen; Molecular model; Structure–activity relationship; Receptor; Combinatorial chemistry; Biochemistry; In vitro; Internal medicine","authors":[{"name":"Robert McDevitt","is_ca":true},{"name":"Michael S. Malamas","is_ca":false},{"name":"Eric S. Manas","is_ca":false},{"name":"Rayomand J. Unwalla","is_ca":false},{"name":"Zhang B. Xu","is_ca":false},{"name":"Chris P. Miller","is_ca":false},{"name":"Heather A. Harris","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.007156200114273742,"gpt":0.2132046490312964,"spread":0.2060484489170227,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000226258,0.0003758565,0.0002698813,0.0002462556,0.00016932,0.0002650587,0.0004431701,0.0002382226,0.003494449],"category_scores_gemma":[0.0001745131,0.0001947426,0.000196598,0.000177384,0.0001594717,0.0004125003,0.0003285414,0.0004307385,0.001131526],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002725743,"about_ca_system_score_gemma":0.0003008443,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002038199,"about_ca_topic_score_gemma":0.0007681868,"domain_scores_codex":[0.9999268,0.00001597923,0.000007464315,0.00001438724,0.00001367008,0.00002164664],"domain_scores_gemma":[0.9999542,0.000007731664,0.00001195644,0.000003169989,0.00000776296,0.00001525524],"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":[0.0008776134,0.0004121416,0.0006579901,0.001262283,0.00004659937,0.000932921,0.0004181132,0.006730943,0.8771772,0.01522639,0.003273173,0.0929846],"study_design_scores_gemma":[0.0005685991,0.003741596,0.002728217,0.0001471519,0.00006953204,0.001387534,0.0001910883,0.006157507,0.8449757,0.002601446,0.1373173,0.0001143439],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8745587,0.03495941,0.05095554,0.001579415,0.0005563363,0.0005700613,0.001801765,0.0005205024,0.03449836],"genre_scores_gemma":[0.9161865,0.02754975,0.0269121,0.0007459791,0.0001131482,0.000405744,0.001298515,0.00008235103,0.02670582],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003494449,"threshold_uncertainty_score":0.01169008,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2012221511","doi":"10.1016/j.bmcl.2010.10.015","title":"Identification of potent and reversible cruzipain inhibitors for the treatment of Chagas disease","year":2010,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Trypanosoma species research and implications","field":"Medicine","cited_by":70,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Merck Canada Inc. (Canada); McGill University; TransCanada (Canada)","funders":"","keywords":"Chagas disease; Chemistry; Proteases; Trypanosoma cruzi; In vitro; Potency; Biochemistry; Cysteine; Pharmacology; Virology; Enzyme; Biology","authors":[{"name":"Christian Beaulieu","is_ca":true},{"name":"Élise Isabel","is_ca":true},{"name":"Angélique Fortier","is_ca":true},{"name":"Frédéric Massé","is_ca":true},{"name":"Christophe Mellon","is_ca":true},{"name":"Nathalie Méthot","is_ca":true},{"name":"Momar Ndao","is_ca":true},{"name":"Deborah A. Nicoll‐Griffith","is_ca":true},{"name":"Doris Lee","is_ca":true},{"name":"Hyeram Park","is_ca":true},{"name":"W. Cameron Black","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01427631321991369,"gpt":0.2743072240897824,"spread":0.2600309108698687,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000226175,0.0003596317,0.000437678,0.0002688227,0.0002185959,0.0003803921,0.0003569247,0.0002814278,0.0023466],"category_scores_gemma":[0.0001526456,0.0002063945,0.0002143892,0.0001535038,0.000220756,0.0002225114,0.000212166,0.0008300664,0.0004196853],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002827351,"about_ca_system_score_gemma":0.000307697,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004332604,"about_ca_topic_score_gemma":0.001722511,"domain_scores_codex":[0.999938,0.000009080322,0.000003768996,0.000009172686,0.00001783805,0.00002208182],"domain_scores_gemma":[0.9999608,0.00000768326,0.000008556441,0.000003915661,0.000007134189,0.00001194333],"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":[0.0006287557,0.0003390814,0.0003567461,0.0002919,0.00003581596,0.0003287825,0.00005641814,0.001228111,0.9451173,0.001662371,0.001069093,0.04888561],"study_design_scores_gemma":[0.000386974,0.002781987,0.002147126,0.00003534241,0.0001050783,0.0008255638,0.00003026386,0.002053324,0.9703926,0.0003584914,0.02085727,0.00002615484],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9332411,0.03424333,0.01486673,0.0007617185,0.0001908399,0.0005781145,0.001136111,0.0003000519,0.01468213],"genre_scores_gemma":[0.9697897,0.01568778,0.006249033,0.0002680232,0.00007761105,0.0001152981,0.001230225,0.00003040273,0.006551938],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0023466,"threshold_uncertainty_score":0.00785017,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1978750894","doi":"10.1016/s0960-894x(00)00493-5","title":"Inhibitors of Src tyrosine kinase: the preparation and structure–activity relationship of 4-anilino-3-cyanoquinolines and 4-anilinoquinazolines","year":2000,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Quinazolinone synthesis and applications","field":"Chemistry","cited_by":70,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Women's Health Research Institute","funders":"","keywords":"Proto-oncogene tyrosine-protein kinase Src; Chemistry; Tyrosine kinase; Angiogenesis; Receptor tyrosine kinase; Tyrosine-protein kinase CSK; Kinase; Cancer research; Signal transduction; Tyrosine-kinase inhibitor; Platelet-derived growth factor receptor; Tyrosine; Protein-Tyrosine Kinases; Structure–activity relationship; Biochemistry; Cell biology; Receptor; In vitro; Internal medicine; Cancer; Growth factor; Biology; Medicine","authors":[{"name":"Yanong D. Wang","is_ca":true},{"name":"Karen Miller","is_ca":false},{"name":"Diane H. Boschelli","is_ca":false},{"name":"Fei Ye","is_ca":false},{"name":"Biqi Wu","is_ca":false},{"name":"M. Brawner Floyd","is_ca":false},{"name":"Dennis Powell","is_ca":false},{"name":"Allan Wissner","is_ca":false},{"name":"Jennifer M. Weber","is_ca":false},{"name":"Frank Boschelli","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.009813187631309573,"gpt":0.2343270364394705,"spread":0.224513848808161,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004007862,0.0003833466,0.0002895744,0.0003353214,0.000165425,0.0002123524,0.0003584695,0.0002902624,0.0007695239],"category_scores_gemma":[0.0003464699,0.0002199414,0.0002124534,0.0001923634,0.0001404879,0.0002497004,0.0001430529,0.0003940319,0.0002290009],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003429598,"about_ca_system_score_gemma":0.0002072954,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008689972,"about_ca_topic_score_gemma":0.002679603,"domain_scores_codex":[0.9998294,0.00004224977,0.00001453483,0.00002149537,0.00004195489,0.00005027936],"domain_scores_gemma":[0.999866,0.00002950694,0.00003016664,0.0000131341,0.0000303147,0.00003093307],"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":[0.0005043349,0.0001668387,0.0002941989,0.0001117133,0.00002742432,0.0001097305,0.00004584487,0.0009213999,0.9841356,0.000294783,0.0002295339,0.01315855],"study_design_scores_gemma":[0.0001760474,0.002210998,0.003042975,0.00001210279,0.0000509552,0.0003778576,0.00001328197,0.001315517,0.9851058,0.00005189513,0.007627065,0.00001562643],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9621882,0.02169996,0.009332119,0.0002601324,0.00009343919,0.0002469498,0.0005068439,0.000117742,0.005554595],"genre_scores_gemma":[0.9827111,0.008287554,0.004709524,0.00008955351,0.00003930988,0.00007551842,0.0007142331,0.00001774388,0.00335538],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008689972,"threshold_uncertainty_score":0.002574325,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2098848709","doi":"10.1016/j.bmcl.2007.12.010","title":"Acylguanidine inhibitors of β-secretase: Optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets","year":2007,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Alzheimer's disease research and treatments","field":"Medicine","cited_by":70,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Women's Health Research Institute","funders":"","keywords":"Chemistry; Cleavage (geology); Guanidine; Small molecule; Amyloid precursor protein; Amyloid precursor protein secretase; Stereochemistry; Amyloid (mycology); Biochemistry; Alzheimer's disease; Disease","authors":[{"name":"Derek C. Cole","is_ca":true},{"name":"Joseph R. Stock","is_ca":false},{"name":"Rajiv Chopra","is_ca":false},{"name":"Rebecca Cowling","is_ca":false},{"name":"John W. Ellingboe","is_ca":false},{"name":"Kristi Fan","is_ca":false},{"name":"Boyd L. Harrison","is_ca":false},{"name":"Yun Hu","is_ca":false},{"name":"Steve Jacobsen","is_ca":false},{"name":"Lee D. Jennings","is_ca":false},{"name":"Guixian Jin","is_ca":false},{"name":"Peter Lohse","is_ca":false},{"name":"Michael S. Malamas","is_ca":false},{"name":"Eric S. Manas","is_ca":false},{"name":"William Moore","is_ca":false},{"name":"Mary‐Margaret O'Donnell","is_ca":false},{"name":"Andrea Olland","is_ca":false},{"name":"Albert J. Robichaud","is_ca":false},{"name":"Kristine Svenson","is_ca":false},{"name":"Junjun Wu","is_ca":false},{"name":"Eric R. Wagner","is_ca":false},{"name":"Jonathan Bard","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01342124718546228,"gpt":0.2671871869297971,"spread":0.2537659397443348,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003891091,0.0006023705,0.0005497335,0.0001871637,0.0002111281,0.0003176793,0.0005322782,0.000401027,0.0015294],"category_scores_gemma":[0.0003856864,0.0002478609,0.0002950111,0.0002130116,0.0002166196,0.000372807,0.0002614362,0.0007206045,0.0003294066],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003196802,"about_ca_system_score_gemma":0.0002844312,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007605143,"about_ca_topic_score_gemma":0.001774713,"domain_scores_codex":[0.9998226,0.00005021155,0.00001820407,0.00002876475,0.00003377824,0.00004656346],"domain_scores_gemma":[0.9998554,0.00003765877,0.00004404247,0.00001262581,0.0000146854,0.00003551181],"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":[0.003029674,0.000373084,0.0003753667,0.0001727215,0.00005896548,0.0006664647,0.00009256839,0.004585132,0.9687245,0.0009244188,0.0002644268,0.02073268],"study_design_scores_gemma":[0.001431975,0.007310943,0.002508015,0.00004868544,0.0001938165,0.001239195,0.00007277545,0.009964092,0.9698904,0.0003725593,0.006901895,0.00006573817],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9900656,0.002557388,0.003842924,0.0001740226,0.00005598689,0.0001116205,0.0001300108,0.00008818328,0.002974277],"genre_scores_gemma":[0.9928329,0.001700486,0.004282377,0.0001008069,0.00002032965,0.00003265315,0.0001175826,0.00002059035,0.00089233],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0015294,"threshold_uncertainty_score":0.005116343,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2172890621","doi":"10.1016/s0960-894x(03)00480-3","title":"High throughput screening identifies novel inhibitors of Escherichia coli dihydrofolate reductase that are competitive with dihydrofolate","year":2003,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Biochemical and Molecular Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":69,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"McMaster University","funders":"Canada Research Chairs","keywords":"Dihydrofolate reductase; Escherichia coli; Enzyme; Chemistry; Small molecule; Biochemistry; Enzyme inhibitor; High-throughput screening; Gene","authors":[{"name":"Michela Zolli‐Juran","is_ca":true},{"name":"Jonathan Cechetto","is_ca":true},{"name":"Rebecca Hartlen","is_ca":true},{"name":"Denis M. Daigle","is_ca":true},{"name":"Eric D. Brown","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01260184875134207,"gpt":0.2284030246708931,"spread":0.2158011759195511,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003353345,0.0009198223,0.0009344197,0.000523739,0.0003420274,0.000774224,0.0006526476,0.0006662282,0.001875341],"category_scores_gemma":[0.0002977012,0.0004050207,0.0003926531,0.0004153425,0.0002152702,0.0002423253,0.0002600565,0.0006946325,0.0008773257],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007826496,"about_ca_system_score_gemma":0.000458131,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001333435,"about_ca_topic_score_gemma":0.00475362,"domain_scores_codex":[0.9997208,0.00003545252,0.00001523519,0.00004338869,0.0001184193,0.00006666781],"domain_scores_gemma":[0.9998571,0.00005349756,0.00002593638,0.00001282808,0.00002536697,0.00002520328],"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":[0.0006417373,0.0006065273,0.0009215913,0.0001086725,0.00006876618,0.0001962921,0.00001629573,0.000888836,0.9809551,0.0001579657,0.0007646193,0.01467359],"study_design_scores_gemma":[0.0002631813,0.002121185,0.003015637,0.000009179083,0.0001786687,0.001031222,0.00002361779,0.005039998,0.982553,0.00006755338,0.005672965,0.00002380953],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9741745,0.006781326,0.01101071,0.0005739131,0.00009603634,0.000257344,0.001701983,0.0007138092,0.004690398],"genre_scores_gemma":[0.9762171,0.004219389,0.007866354,0.0003061405,0.00004207073,0.0001284964,0.004017616,0.00005301155,0.007149789],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001875341,"threshold_uncertainty_score":0.006273627,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2096679957","doi":"10.1016/j.bmcl.2003.11.076","title":"Structure based design of a series of potent and selective non peptidic PTP-1B inhibitors","year":2004,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Protein Tyrosine Phosphatases","field":"Biochemistry, Genetics and Molecular Biology","cited_by":69,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Merck Canada Inc. (Canada)","funders":"","keywords":"Chemistry; Protein tyrosine phosphatase; Structure–activity relationship; Stereochemistry; Selectivity; Benzotriazole; Enzyme inhibitor; Molecular model; Lead compound; Crystal structure; Chemical synthesis; In vitro; Enzyme; Biochemistry; Organic chemistry","authors":[{"name":"Cheuk K. Lau","is_ca":true},{"name":"Christopher I. Bayly","is_ca":true},{"name":"Jacques Yves Gauthier","is_ca":true},{"name":"Chun Sing Li","is_ca":true},{"name":"Michel Thérien","is_ca":true},{"name":"Ernest Asante‐Appiah","is_ca":true},{"name":"Wanda Cromlish","is_ca":true},{"name":"Yves Boie","is_ca":true},{"name":"Farnaz Forghani","is_ca":true},{"name":"Sylvie Desmarais","is_ca":true},{"name":"Qingping Wang","is_ca":true},{"name":"Kathryn Skorey","is_ca":true},{"name":"Deena Waddleton","is_ca":true},{"name":"Paul Payette","is_ca":true},{"name":"Chidambaram Ramachandran","is_ca":true},{"name":"Brian P. Kennedy","is_ca":true},{"name":"Giovana Scapin","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.004832755718077259,"gpt":0.1926538847184066,"spread":0.1878211290003293,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001761593,0.0005300713,0.0005657341,0.0002965983,0.0002393224,0.0005199031,0.0006745128,0.000325074,0.001644363],"category_scores_gemma":[0.0002029012,0.0003190338,0.0002445008,0.0001872119,0.000179257,0.0002469556,0.0002709231,0.0008313452,0.0004811597],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006163136,"about_ca_system_score_gemma":0.0003974038,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006242162,"about_ca_topic_score_gemma":0.001988487,"domain_scores_codex":[0.9998996,0.00001392905,0.000007851305,0.00001736813,0.00003081192,0.0000304889],"domain_scores_gemma":[0.9999503,0.000005047404,0.00001346534,0.000003048592,0.000008924289,0.00001923146],"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":[0.0009108382,0.0005671603,0.0004556617,0.0003406515,0.00008607993,0.0005345508,0.00007436168,0.01360762,0.9354055,0.003451843,0.001733998,0.04283176],"study_design_scores_gemma":[0.001507162,0.004891318,0.001723342,0.00006094767,0.000231852,0.00169263,0.00004800647,0.01995345,0.9285138,0.0009047503,0.04041264,0.0000600591],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9290785,0.0165123,0.03560114,0.001012098,0.0003300257,0.0009900684,0.001435205,0.0005591113,0.0144815],"genre_scores_gemma":[0.9637034,0.008367491,0.01862557,0.0004157994,0.00004774632,0.000273961,0.001644422,0.0000398878,0.006881659],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001644363,"threshold_uncertainty_score":0.005500972,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null}]}