{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006482935,0.0001934677,0.0004500601,0.00008035474,0.00008986014,0.00007332246,0.0002174445,0.00009983114,0.00002114175],"category_scores_gemma":[0.0005374377,0.0001226585,0.0002025229,0.0001733709,0.0003597984,0.0002788228,0.00003792912,0.0004543282,2.037326e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004133291,"about_ca_system_score_gemma":0.0003456368,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000003276559,"about_ca_topic_score_gemma":0.00000170727,"domain_scores_codex":[0.9981886,0.00006294279,0.0006444394,0.0003095279,0.0005483785,0.0002461078],"domain_scores_gemma":[0.9987963,0.0004559627,0.0003303125,0.0001147903,0.00007165357,0.0002309809],"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":[0.003533142,0.0003782708,0.000299688,0.0007233486,0.00005014275,0.0006628854,0.0003200589,0.0001042587,0.9906358,0.00002550132,0.0004821974,0.002784761],"study_design_scores_gemma":[0.003391662,0.0004409561,0.0008703764,0.001082984,0.0001295897,0.0002480593,0.0002671562,0.0009704123,0.9867994,0.0002120015,0.005387535,0.0001999363],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9916188,0.005205441,0.0008634134,0.00151754,0.0005476213,0.0001544376,0.00004206734,0.00001077425,0.00003994214],"genre_scores_gemma":[0.9973154,0.001122884,0.000103287,0.0002757658,0.001053475,0.000007378721,0.000001071339,0.00002447512,0.00009624764],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005696653,"threshold_uncertainty_score":0.5001867,"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."}}