{"id":"W4236010144","doi":"10.1002/ange.200704774","title":"Toward a Computational Tool Predicting the Stereochemical Outcome of Asymmetric Reactions: Development and Application of a Rapid and Accurate Program Based on Organic Principles","year":2008,"lang":"en","type":"article","venue":"Angewandte Chemie","topic":"Asymmetric Synthesis and Catalysis","field":"Chemistry","cited_by":16,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Natural Sciences and Engineering Research Council of Canada; Canadian Institutes of Health Research; Fonds Québécois de la Recherche sur la Nature et les Technologies","keywords":"Enantioselective synthesis; Chemistry; Stereochemistry; Outcome (game theory); Computational chemistry; Catalysis; Organic chemistry; Mathematical economics; Mathematics","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":[0.0002099543,0.0001344041,0.000235026,0.00009688686,0.00009682307,0.00001150377,0.0001142378,0.0000824221,0.00002068949],"category_scores_gemma":[0.0003063411,0.0001003553,0.00005261729,0.0004369419,0.000119219,0.00004466257,0.00005901877,0.0001059189,7.892782e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004531572,"about_ca_system_score_gemma":0.00006020104,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001249074,"about_ca_topic_score_gemma":7.422161e-7,"domain_scores_codex":[0.9988841,0.00001017364,0.0004572212,0.0002390192,0.0002868615,0.000122615],"domain_scores_gemma":[0.9988725,0.0004697964,0.0003148287,0.0002001293,0.00009849025,0.00004422614],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002803381,0.001535481,0.3929012,0.001775133,0.0006224592,0.000007005403,0.002386051,0.0001734227,0.1666805,0.0001503233,0.0001409454,0.4333472],"study_design_scores_gemma":[0.0004465925,0.00002521933,0.01655795,0.00004112349,0.00006058246,0.00001585889,0.0002365088,0.002784841,0.9783223,0.00001250882,0.001376241,0.0001202516],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9959795,0.0003201929,0.001081132,0.0001002475,0.000006952968,0.0001797683,0.00001862336,0.00004318136,0.002270426],"genre_scores_gemma":[0.99588,0.00003847323,0.003808714,0.00002529313,0.00002771298,0.00009269261,0.00007772996,0.00001270984,0.00003667392],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.8116419,"threshold_uncertainty_score":0.4092372,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04349625838241671,"score_gpt":0.2626461102966394,"score_spread":0.2191498519142226,"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."}}