{"id":"W2332608279","doi":"10.1021/ja200551y","title":"Predictable Stereoselective and Chemoselective Hydroxylations and Epoxidations with P450 3A4","year":2011,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Pharmacogenetics and Drug Metabolism","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":49,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"","keywords":"Chemistry; Hydroxylation; Stereoselectivity; Selectivity; Substrate (aquarium); Enantioselective synthesis; Enzyme; Stereochemistry; Chemical synthesis; Combinatorial chemistry; Organic chemistry; Biochemistry; Catalysis","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004525578,0.0004459915,0.0002258529,0.0001885798,0.000175662,0.0002613174,0.0003098359,0.0002211257,0.000926659],"category_scores_gemma":[0.0003462015,0.000218775,0.0002481243,0.0002303514,0.0002973044,0.0004256275,0.0004431038,0.0007477956,0.000509896],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002615601,"about_ca_system_score_gemma":0.0002398329,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003719586,"about_ca_topic_score_gemma":0.0007451341,"domain_scores_codex":[0.9997783,0.00004657619,0.00001831494,0.00004799065,0.0000538386,0.00005484181],"domain_scores_gemma":[0.9998935,0.00001750567,0.00004148577,0.00002239586,0.00001260295,0.00001240727],"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":[0.0001520642,0.00008326581,0.0002872006,0.00005340061,0.00001011855,0.0001662472,0.00003802362,0.0006416406,0.9876696,0.001782152,0.0001985775,0.00891764],"study_design_scores_gemma":[0.00001912808,0.000264969,0.0002888647,0.0000021459,0.000006385188,0.00008317327,0.000007318798,0.001072158,0.9956656,0.0001533741,0.002430504,0.000006303574],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9396402,0.001142444,0.04462936,0.0004473861,0.00007640909,0.0001493242,0.0003619101,0.0004152926,0.01313762],"genre_scores_gemma":[0.9875445,0.000801427,0.008329018,0.00005361694,0.00002251541,0.00003957985,0.0001459414,0.00004636435,0.003017087],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.000926659,"threshold_uncertainty_score":0.003100038,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.05675445811163024,"score_gpt":0.3548968002630979,"score_spread":0.2981423421514677,"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."}}