{"id":"W2728982395","doi":"10.1021/acs.joc.7b01069","title":"Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp<sup>3</sup> C–H Bonds","year":2017,"lang":"en","type":"article","venue":"The Journal of Organic Chemistry","topic":"Metal-Catalyzed Oxygenation Mechanisms","field":"Chemistry","cited_by":79,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Hewitt Foundation; National Institute of General Medical Sciences; Agency for Science, Technology and Research; Welch Foundation","keywords":"Intramolecular force; Decoding methods; Hydroxylation; Mechanism (biology); Chemistry; Stereochemistry; Bond; Computer science; Physics; Biochemistry; Algorithm; Enzyme; Business","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.001445066,0.0002319636,0.0004450565,0.00003763139,0.0002890365,0.00005165218,0.001675208,0.00019934,0.002973407],"category_scores_gemma":[0.001321693,0.0001545989,0.0002043761,0.0001357325,0.0001716783,0.0001716731,0.0002420667,0.0005523955,0.000006221077],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009793037,"about_ca_system_score_gemma":0.0001922656,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001142038,"about_ca_topic_score_gemma":0.000001284357,"domain_scores_codex":[0.9978507,0.00005869094,0.0009581649,0.000155129,0.0007430722,0.0002342405],"domain_scores_gemma":[0.9954607,0.0002087791,0.002568413,0.001216971,0.0004453474,0.00009978853],"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":[0.00006163843,0.00005696369,0.00003180616,0.0001462485,0.0002166943,0.000008021531,0.0005532756,0.00009757689,0.9980955,0.0001946704,0.00009879259,0.0004388572],"study_design_scores_gemma":[0.0007702358,0.00001916303,0.00003287322,0.0001542585,0.000304894,0.0003130208,0.0005687108,0.003578901,0.9905337,0.003503002,0.00007844293,0.0001427623],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.992187,0.000284183,0.003361082,0.0004400001,0.00007800992,0.00006371288,0.00001579739,0.00002330155,0.003546918],"genre_scores_gemma":[0.9983487,0.0001366212,0.000790386,0.00002090852,0.0002471488,0.000001207078,0.000008495818,0.00004436055,0.0004022117],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007561719,"threshold_uncertainty_score":0.997938,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01356834755229814,"score_gpt":0.2381807862953156,"score_spread":0.2246124387430174,"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."}}