{"id":"W4280577636","doi":"10.1021/acs.chemrestox.2c00008","title":"Neutrophil Myeloperoxidase-Mediated N-Demethylation of Quetiapine Leads to <i>N</i>-Desalkylquetiapine, a Pharmacologically Active Cytochrome P450 Metabolite","year":2022,"lang":"en","type":"article","venue":"Chemical Research in Toxicology","topic":"Neutrophil, Myeloperoxidase and Oxidative Mechanisms","field":"Immunology and Microbiology","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Faculty of Pharmacy and Pharmaceutical Sciences, University of Alberta; Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Quetiapine; Myeloperoxidase; Metabolite; Cytochrome P450; Clozapine; Atypical antipsychotic; Metabolism; Stereochemistry; Pharmacology; Biochemistry; Antipsychotic; Internal medicine; Schizophrenia (object-oriented programming); Medicine","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0001171885,0.0004349134,0.0001482589,0.0001752546,0.0001188565,0.0002053837,0.0001911446,0.0002756103,0.0009803431],"category_scores_gemma":[0.0002478923,0.0001475486,0.0003216462,0.00008312979,0.000179231,0.0001576929,0.0001171434,0.0002855275,0.0002743398],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004137255,"about_ca_system_score_gemma":0.000230808,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002340367,"about_ca_topic_score_gemma":0.002490632,"domain_scores_codex":[0.9998758,0.00002627611,0.000005797029,0.00002747186,0.00003200726,0.00003250947],"domain_scores_gemma":[0.9999105,0.00001504565,0.00003447046,0.000009218174,0.00001538947,0.00001537785],"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":[0.00007967379,0.00001263985,0.0002848305,0.00001872852,0.000007263772,0.0001444814,0.00001580224,0.00004109395,0.9982123,0.00006962718,0.00002800523,0.001085481],"study_design_scores_gemma":[0.000006467209,0.0001094583,0.002419278,0.000001835806,0.000008564638,0.0002493681,0.00001017915,0.0006254808,0.9958155,0.00002780097,0.0007232146,0.000002898721],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.987066,0.001314057,0.008729328,0.0001304827,0.00003274925,0.0000531734,0.0001581776,0.0001747089,0.002341364],"genre_scores_gemma":[0.9954104,0.0004652493,0.002072623,0.00003893691,0.000007194166,0.00001273975,0.0001446578,0.00001122485,0.001836843],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002340367,"threshold_uncertainty_score":0.004653513,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0659384074387949,"score_gpt":0.3589285355820483,"score_spread":0.2929901281432534,"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."}}