{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001230887,0.0001168624,0.0001374955,0.00002613927,0.00007805483,0.00009362126,0.0007027094,0.00004824501,0.0004715939],"category_scores_gemma":[0.0003000774,0.0001111683,0.00004261238,0.0006245441,0.0003046386,0.0003952518,0.00009729077,0.0001446152,0.0000296296],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001133836,"about_ca_system_score_gemma":0.0001113685,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001106756,"about_ca_topic_score_gemma":0.00003227631,"domain_scores_codex":[0.9985653,0.000007715278,0.0001918541,0.0004506299,0.0002849249,0.0004995428],"domain_scores_gemma":[0.9991532,0.00003224378,0.00005010272,0.0002907781,0.00002455599,0.0004491158],"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":[0.00001560415,0.00004076713,0.009316972,0.00001853692,0.00000211014,0.00005642685,0.0006920294,0.00004441672,0.987284,0.00001720098,0.00001866879,0.002493286],"study_design_scores_gemma":[0.000132335,0.00000662403,0.004443399,0.0000154918,0.000007157218,0.000003334249,0.0003144608,0.002236472,0.9924268,0.00002845022,0.0002351804,0.0001503333],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.995817,0.00002073112,0.000007474293,0.0004081917,0.00003346415,0.0000203942,0.00001182208,0.0000525718,0.00362832],"genre_scores_gemma":[0.999558,0.00001404756,0.00004303715,0.000227668,0.0000978191,0.000004762373,0.0000124916,0.000006628285,0.00003551268],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00514278,"threshold_uncertainty_score":0.5163622,"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."}}