{"id":"W4392342795","doi":"10.1021/acs.jmedchem.3c02121","title":"Discovery of TRPA1 Antagonist <b>GDC-6599</b>: Derisking Preclinical Toxicity and Aldehyde Oxidase Metabolism with a Potential First-in-Class Therapy for Respiratory Disease","year":2024,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Ion Channels and Receptors","field":"Neuroscience","cited_by":21,"is_retracted":false,"has_abstract":true,"ca_institutions":"Paraza Pharma (Canada)","funders":"","keywords":"Pharmacology; Chemistry; In vivo; Toxicity; Ex vivo; Metabolite; Biochemistry; Medicine; 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":[0.0001366118,0.0003187146,0.000195403,0.0001773546,0.00009992308,0.0002188791,0.0002365155,0.0002650743,0.001330118],"category_scores_gemma":[0.00008724804,0.00009392064,0.0001505354,0.0001053785,0.000103806,0.0001580997,0.0001447804,0.0005040113,0.0002986316],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000188677,"about_ca_system_score_gemma":0.0002389157,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005385882,"about_ca_topic_score_gemma":0.001247837,"domain_scores_codex":[0.9999578,0.000006922776,0.000002721473,0.000007479789,0.00001098387,0.00001409405],"domain_scores_gemma":[0.9999759,0.000002514838,0.000007340939,0.000002066452,0.000004507103,0.000007537677],"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":[0.0004498755,0.0002480498,0.0001841259,0.00009647678,0.00002162721,0.0001403623,0.0000172519,0.000450012,0.9800468,0.0004736921,0.0007381684,0.01713348],"study_design_scores_gemma":[0.0004310125,0.005942082,0.002157626,0.00002613466,0.00007170373,0.000646377,0.00002880659,0.002587182,0.9691353,0.0002304128,0.01872547,0.00001776244],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9761257,0.005804902,0.008253279,0.0005814144,0.00007983377,0.0003164931,0.000791164,0.0002596882,0.007787637],"genre_scores_gemma":[0.98416,0.004162125,0.005559077,0.0003562948,0.00001708516,0.0001144757,0.0007581669,0.00002611607,0.004846535],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001330118,"threshold_uncertainty_score":0.004449666,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02840328419488225,"score_gpt":0.3059989111405603,"score_spread":0.277595626945678,"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."}}