{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00005541317,0.0001680173,0.0001756414,0.00002604608,0.00006203979,0.00004723827,0.000110644,0.0001248275,0.00001930468],"category_scores_gemma":[0.00002881657,0.0001378595,0.00006540208,0.00003963114,0.00005060414,0.000008398206,0.0001393763,0.00006452038,0.00003865231],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000006344319,"about_ca_system_score_gemma":0.00002385283,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001021121,"about_ca_topic_score_gemma":0.00001597331,"domain_scores_codex":[0.9991826,0.00002602362,0.000144324,0.0003358873,0.0001046462,0.0002064508],"domain_scores_gemma":[0.9995383,0.00002383716,0.00006045705,0.000272539,0.00003371809,0.00007113551],"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":[0.00004171367,0.00003610178,0.01298589,0.00001248612,0.00004914034,0.000001720469,0.00006780606,0.000007685012,0.9801911,0.00003316517,0.0009734964,0.005599725],"study_design_scores_gemma":[0.0007138148,0.0002023341,0.03726642,0.0000370653,0.00002696743,0.000008675232,0.0002998171,0.00003901199,0.8606279,0.00024967,0.1001274,0.0004009138],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.996101,0.001632478,0.00004086566,0.0002649617,0.0002785719,0.00013163,0.00004079298,0.00001589584,0.001493764],"genre_scores_gemma":[0.9975713,0.0003623553,0.000147567,0.0004847547,0.0004563477,0.00001051396,0.00006882897,0.00002363922,0.0008746663],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1195631,"threshold_uncertainty_score":0.5621749,"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."}}