{"id":"W2910149212","doi":"10.1021/jacs.8b11524","title":"H-Atom Abstraction vs Addition: Accounting for the Diverse Product Distribution in the Autoxidation of Cholesterol and Its Esters","year":2019,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Cholesterol and Lipid Metabolism","field":"Medicine","cited_by":33,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; Canada Foundation for Innovation","keywords":"Autoxidation; Chemistry; Product distribution; Cholesterol; Epimer; Allylic rearrangement; Organic chemistry; Medicinal chemistry; Stereochemistry; Catalysis; Biochemistry","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":[0.0007633028,0.0008893361,0.0004000596,0.0004521469,0.0001997183,0.0004983195,0.0007542737,0.0003958202,0.001937025],"category_scores_gemma":[0.000661839,0.0003428998,0.0004396197,0.0003479948,0.0004986055,0.001290137,0.0006492717,0.0008021619,0.0003761628],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003949798,"about_ca_system_score_gemma":0.0005128512,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001349224,"about_ca_topic_score_gemma":0.001219281,"domain_scores_codex":[0.9997712,0.0000327419,0.000008995853,0.0000658463,0.00006030095,0.00006097755],"domain_scores_gemma":[0.9997615,0.00008520308,0.00004834659,0.00005279759,0.00003134297,0.00002079186],"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":[0.001768228,0.0001483002,0.009620197,0.0005176304,0.0001793057,0.0009863833,0.0003458767,0.007689052,0.937563,0.006699255,0.0004337407,0.03404898],"study_design_scores_gemma":[0.00008704136,0.00058963,0.009405019,0.00003213566,0.0001653549,0.0004612645,0.0001856833,0.1125839,0.8644049,0.007580492,0.004437677,0.00006678481],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9027531,0.004928422,0.08529107,0.000281485,0.0001585183,0.0001606828,0.0004271497,0.000492715,0.005506994],"genre_scores_gemma":[0.9862421,0.002621029,0.008878429,0.00008513246,0.0000457645,0.00004356783,0.0002309477,0.00008790274,0.001765232],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001937025,"threshold_uncertainty_score":0.006480038,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01271579646988011,"score_gpt":0.2677523705889162,"score_spread":0.2550365741190361,"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."}}