{"id":"W3157423940","doi":"10.1039/d1sc03741b","title":"Origin of enantioselectivity reversal in Lewis acid-catalysed Michael additions relying on the same chiral source","year":2021,"lang":"en","type":"article","venue":"Chemical Science","topic":"Asymmetric Synthesis and Catalysis","field":"Chemistry","cited_by":14,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"Division of Chemistry; University of Utah; National Institute of General Medical Sciences; Center for High Performance Computing; Horace H. Rackham School of Graduate Studies, University of Michigan; National Science Foundation; Compute Canada; David and Lucile Packard Foundation; Loyola University Chicago; Camille and Henry Dreyfus Foundation; Alfred P. Sloan Foundation; Eli Lilly and Company","keywords":"Lewis acids and bases; Enantiomer; Ligand (biochemistry); Chemistry; Catalysis; Enantioselective synthesis; Combinatorial chemistry; Reagent; Chiral Lewis acid; Lewis acid catalysis; Substrate (aquarium); Organic chemistry; Stereochemistry","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":[0.0004070094,0.0003405501,0.0003854044,0.0001682899,0.0002613717,0.0008608846,0.000700838,0.0004594346,0.001572458],"category_scores_gemma":[0.0005602372,0.0002883358,0.0002431695,0.0001461788,0.000603257,0.0006973033,0.0004550877,0.0006977607,0.0003720509],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003341011,"about_ca_system_score_gemma":0.0003379398,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005219991,"about_ca_topic_score_gemma":0.001042093,"domain_scores_codex":[0.9998581,0.00002829804,0.000008906003,0.00002931198,0.0000422675,0.00003301794],"domain_scores_gemma":[0.9998789,0.00005128208,0.00003115427,0.00001652166,0.00001353269,0.000008656146],"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":[0.001193597,0.0004429504,0.003712503,0.002267694,0.0001885432,0.00306203,0.0006007339,0.05027938,0.7469317,0.1459442,0.001550163,0.04382649],"study_design_scores_gemma":[0.0002595857,0.001014926,0.001820878,0.00009959181,0.0001065212,0.0007873393,0.0003562249,0.1886941,0.7732424,0.02094726,0.01256438,0.0001068676],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9732311,0.001150308,0.01392955,0.0001660933,0.00004526864,0.00005845595,0.00009877787,0.00009381552,0.01122662],"genre_scores_gemma":[0.9957521,0.0007686078,0.002672035,0.00004030679,0.000005558749,0.00002432328,0.00006601382,0.00001834215,0.000652711],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001572458,"threshold_uncertainty_score":0.005260408,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02321419199213985,"score_gpt":0.2528190780747153,"score_spread":0.2296048860825754,"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."}}