{"id":"W3016769221","doi":"10.1021/acscentsci.0c00111","title":"An Epoxide Intermediate in Glycosidase Catalysis","year":2020,"lang":"en","type":"article","venue":"ACS Central Science","topic":"Carbohydrate Chemistry and Synthesis","field":"Chemistry","cited_by":54,"is_retracted":false,"has_abstract":true,"ca_institutions":"Simon Fraser University","funders":"Biotechnology and Biological Sciences Research Council; Natural Sciences and Engineering Research Council of Canada; Agència de Gestió d'Ajuts Universitaris i de Recerca; Generalitat de Catalunya; Royal Society; Diamond Light Source; FP7 Ideas: European Research Council; Australian Research Council; Barcelona Supercomputing Center; Ministerio de Ciencia e Innovación; Wellcome Trust","keywords":"Chemistry; Anomer; Stereochemistry; Nucleophile; Glycoside hydrolase; Leaving group; Oxocarbenium; Enzyme catalysis; Glycosyl; Epoxide; Hydrolysis; Catalysis; Organic chemistry","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":[0.0004399807,0.0004721979,0.0001271654,0.0001465004,0.0002188138,0.000574246,0.0003625808,0.0004503497,0.001828921],"category_scores_gemma":[0.0003945639,0.00017223,0.0001028659,0.0001008083,0.0003969076,0.0006043864,0.00035673,0.0007094283,0.0004362414],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003015027,"about_ca_system_score_gemma":0.0002481972,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002929963,"about_ca_topic_score_gemma":0.0003354281,"domain_scores_codex":[0.9999055,0.00001534589,0.000003936171,0.00002454742,0.00002531223,0.00002542659],"domain_scores_gemma":[0.999945,0.00001474868,0.000009305576,0.00000806754,0.000005877685,0.0000170155],"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":[0.0004410542,0.000174855,0.002777327,0.0001557084,0.0000255051,0.0007131851,0.0001803227,0.001701755,0.9396688,0.0296949,0.0004994581,0.02396707],"study_design_scores_gemma":[0.000046596,0.0004017043,0.003098759,0.00001821254,0.00001632626,0.0005469668,0.0001141494,0.006542569,0.9739118,0.01038905,0.004890762,0.00002322961],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9682862,0.001465173,0.01639465,0.0005944722,0.0001375888,0.0000544217,0.00009440722,0.0001243376,0.01284877],"genre_scores_gemma":[0.9959548,0.0004793003,0.002035927,0.00002945041,0.00001471094,0.000007619949,0.00005880689,0.000006267258,0.001413199],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001828921,"threshold_uncertainty_score":0.006118298,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01353747897155162,"score_gpt":0.2390484907326793,"score_spread":0.2255110117611277,"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."}}