{"id":"W2042824575","doi":"10.1016/s0960-894x(01)00135-4","title":"In vitro metabolism considerations, including activity testing of metabolites, in the discovery and selection of the COX-2 inhibitor etoricoxib (MK-0663)","year":2001,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Inflammatory mediators and NSAID effects","field":"Medicine","cited_by":46,"is_retracted":false,"has_abstract":false,"ca_institutions":"Merck Canada Inc. (Canada)","funders":"","keywords":"Etoricoxib; Chemistry; In vitro; Pharmacology; CYP3A4; Metabolite; Biochemistry; Metabolism; Cytochrome P450; Biology","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001299204,0.0005646106,0.000573551,0.0003210366,0.0004082287,0.001046122,0.0005160202,0.0007994442,0.001545957],"category_scores_gemma":[0.001552988,0.0003628056,0.0005628285,0.0003639194,0.0002790843,0.0007845628,0.0004010799,0.0009790055,0.0004865238],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003496157,"about_ca_system_score_gemma":0.0007606358,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001137981,"about_ca_topic_score_gemma":0.005498349,"domain_scores_codex":[0.9992701,0.000424481,0.00009676771,0.00005550636,0.00009621751,0.00005687959],"domain_scores_gemma":[0.9995462,0.0001914462,0.00007322801,0.00006061675,0.00008409864,0.00004428932],"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":[0.00192027,0.0004555171,0.002559517,0.000243597,0.00004912057,0.0006517117,0.00007569601,0.002327204,0.9632158,0.0008758184,0.000500337,0.02712537],"study_design_scores_gemma":[0.000104853,0.0050417,0.002806048,0.00002985459,0.0002064721,0.001856679,0.00009744069,0.002207687,0.975468,0.0006148269,0.01153359,0.00003277084],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8951234,0.02111221,0.06451504,0.003191093,0.0004872605,0.0004582657,0.002537714,0.0002130623,0.01236186],"genre_scores_gemma":[0.9294808,0.01282031,0.04991343,0.0006120168,0.00015791,0.0002299383,0.002600054,0.00006354462,0.004121956],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001545957,"threshold_uncertainty_score":0.006870925,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01923683013350605,"score_gpt":0.2504771464022919,"score_spread":0.2312403162687858,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}