{"id":"W2950397383","doi":"10.1021/acsomega.9b00897","title":"Potent CYP3A4 Inhibitors Derived from Dillapiol and Sesamol","year":2019,"lang":"en","type":"article","venue":"ACS Omega","topic":"Phenothiazines and Benzothiazines Synthesis and Activities","field":"Biochemistry, Genetics and Molecular Biology","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada; BASF","keywords":"Chemistry; Substituent; Sesamol; CYP3A4; Stereochemistry; IC50; In vitro; Biochemistry; Enzyme; Cytochrome P450; Antioxidant","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":[0.0001304245,0.0005090364,0.0003580736,0.0003707031,0.000144187,0.0001541144,0.0003050859,0.0002024819,0.003359511],"category_scores_gemma":[0.0001108146,0.0002375198,0.0003122637,0.0002318853,0.0001665563,0.0001578379,0.0002689473,0.0006727473,0.001019615],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002943832,"about_ca_system_score_gemma":0.0002475241,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004436828,"about_ca_topic_score_gemma":0.00139195,"domain_scores_codex":[0.9999003,0.00001152652,0.00001129626,0.00001553343,0.00003084767,0.00003039497],"domain_scores_gemma":[0.9999378,0.000006975029,0.00001218468,0.000007435409,0.00001101676,0.00002465497],"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":[0.0002036092,0.00009113875,0.00008382966,0.0001252524,0.00001536814,0.0001437327,0.00001986753,0.0002329168,0.9931021,0.0002190068,0.0001892568,0.005573847],"study_design_scores_gemma":[0.0003239541,0.001755913,0.001918626,0.00001541614,0.00005026624,0.0004618989,0.00001886824,0.0004124648,0.9808075,0.00007629071,0.01414382,0.00001488226],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9489789,0.009924652,0.01674926,0.0004180272,0.0002321686,0.001077893,0.002993108,0.0002953063,0.01933073],"genre_scores_gemma":[0.968182,0.005785991,0.0125846,0.000219773,0.00005436123,0.000542588,0.004260817,0.00004050264,0.008329377],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003359511,"threshold_uncertainty_score":0.01123875,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005740785980108662,"score_gpt":0.1993510342519436,"score_spread":0.1936102482718349,"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."}}