{"id":"W3180808017","doi":"10.1016/j.bmcl.2021.128255","title":"Biologically active metabolites in drug discovery","year":2021,"lang":"en","type":"review","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Pharmacogenetics and Drug Metabolism","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":15,"is_retracted":false,"has_abstract":false,"ca_institutions":"Xenon Pharmaceuticals (Canada)","funders":"","keywords":"Chemistry; Drug discovery; Drug; Biological activity; Active metabolite; Drug development; Lead compound; Computational biology; Pharmacology; Metabolite; Biochemistry; In vitro; 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":[0.0008181565,0.001214094,0.001512495,0.002151729,0.0002584735,0.001238498,0.0008051344,0.001078529,0.005532423],"category_scores_gemma":[0.000665703,0.0004310312,0.0004472975,0.002115017,0.0007269837,0.00138791,0.001188663,0.002250433,0.004094532],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005817891,"about_ca_system_score_gemma":0.000855654,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004575752,"about_ca_topic_score_gemma":0.0009554529,"domain_scores_codex":[0.9997306,0.00006586097,0.00002451197,0.00003880179,0.0001082825,0.00003178438],"domain_scores_gemma":[0.9997694,0.0001101321,0.00003724744,0.0000133169,0.0000462157,0.00002366282],"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":[0.0001145561,0.0001304402,0.0001058703,0.009154301,0.00006816904,0.0002473051,0.00003737514,0.0005568767,0.005810042,0.01060008,0.02755528,0.9456198],"study_design_scores_gemma":[0.00004413298,0.0001719176,0.0003587495,0.001444619,0.00007520107,0.0007378735,0.00002486605,0.0001945456,0.001965068,0.005389951,0.9895777,0.00001545256],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.0002182888,0.9955161,0.0007914818,0.0003945039,0.0005374958,0.00001163246,0.00003123262,0.00002014467,0.002479107],"genre_scores_gemma":[0.002170999,0.9927949,0.000819589,0.0004560571,0.0006478087,0.00001905501,0.00006135669,0.000004533023,0.003025652],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.005532423,"threshold_uncertainty_score":0.01850778,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1247368872199737,"score_gpt":0.4428069102552609,"score_spread":0.3180700230352871,"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."}}