{"id":"W3137413844","doi":"10.1002/ansa.202000182","title":"Determining site occupancy of acetaminophen covalent binding to target proteins in vitro","year":2021,"lang":"en","type":"article","venue":"Analytical Science Advances","topic":"Pharmacogenetics and Drug Metabolism","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta; IONICS Mass Spectrometry (Canada); York University; Université du Québec à Montréal","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Microsome; Chromatography; Peptide; Trypsin; Biochemistry; Tandem mass spectrometry; Glutathione; Cysteine; In vitro; Mass spectrometry; Enzyme","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":[0.0003383991,0.0004978243,0.0002614479,0.0002097872,0.0002251938,0.0002257771,0.0002934372,0.00028913,0.0008045002],"category_scores_gemma":[0.0004549712,0.0002314069,0.0002296367,0.0002912934,0.0002234541,0.0001459604,0.0002186972,0.0003932101,0.000365792],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000353102,"about_ca_system_score_gemma":0.0002073961,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001241263,"about_ca_topic_score_gemma":0.00202567,"domain_scores_codex":[0.9995652,0.00009080786,0.00001891121,0.0001125044,0.0001593747,0.00005307769],"domain_scores_gemma":[0.9996748,0.00009258714,0.0000869327,0.00003248026,0.00007211615,0.00004112277],"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":[0.00004142489,0.000009296549,0.0001978691,0.0000148073,0.00000663165,0.000006193964,0.00001040286,0.00003365024,0.9993418,0.000008902745,0.000007948681,0.0003210379],"study_design_scores_gemma":[0.000002557804,0.00009728528,0.003138283,0.000001408529,0.00001180613,0.00003427361,0.00001148305,0.0008333027,0.9955171,0.00000735135,0.0003420856,0.000003037294],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9887174,0.0006482271,0.009722299,0.00002876684,0.00001194644,0.00003350609,0.0003089696,0.00007122604,0.0004576912],"genre_scores_gemma":[0.9843656,0.0007828184,0.01160347,0.00004896758,0.00001099866,0.00008144674,0.0009873561,0.00004018448,0.002079152],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001241263,"threshold_uncertainty_score":0.002691388,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0894065477130122,"score_gpt":0.4579304537195106,"score_spread":0.3685239060064984,"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."}}