{"id":"W2010540887","doi":"10.1021/jo900716a","title":"Rational Design of Aldol Reactions That Proceed via Kinetic Resolution with Switchable Enantioselectivity","year":2009,"lang":"en","type":"article","venue":"The Journal of Organic Chemistry","topic":"Asymmetric Synthesis and Catalysis","field":"Chemistry","cited_by":35,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"","keywords":"Kinetic resolution; Aldol reaction; Rational design; Chemistry; Kinetic energy; Resolution (logic); Combinatorial chemistry; Computational chemistry; Enantioselective synthesis; Stereochemistry; Organic chemistry; Nanotechnology; Catalysis; Materials science; Computer science; Physics","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0005607407,0.0001440379,0.0002656576,0.00003906929,0.0001171164,0.00001666272,0.0002868905,0.00009633464,0.0006386215],"category_scores_gemma":[0.0002376937,0.00009245822,0.00008888908,0.000427111,0.00005897022,0.0001289156,0.00001563781,0.0002927803,0.000002344913],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001270153,"about_ca_system_score_gemma":0.0002108701,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00000799946,"about_ca_topic_score_gemma":7.249101e-7,"domain_scores_codex":[0.9988387,0.00002569799,0.0003864942,0.000112779,0.0004669399,0.0001694313],"domain_scores_gemma":[0.9983935,0.0002282374,0.0007799742,0.0002484993,0.0002831914,0.00006657128],"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":[0.0002384387,0.000193356,0.0001781642,0.00004320289,0.0001160571,0.000002616902,0.00008900734,0.0001924813,0.9965324,0.000002346435,0.0002806212,0.002131289],"study_design_scores_gemma":[0.0004358862,0.00005935228,0.0007750799,0.00009021834,0.0002685353,0.0006507921,0.0002105182,0.0003970576,0.9966555,0.0002204272,0.0001271471,0.000109439],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8168865,0.00116438,0.1717977,0.001224409,0.00003637227,0.0001304261,0.00000632326,0.00004551578,0.008708318],"genre_scores_gemma":[0.998026,0.0001171535,0.001053539,0.00001366182,0.0001600972,0.000001120322,0.000002683945,0.00001415633,0.0006115888],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1811395,"threshold_uncertainty_score":0.6992457,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01328866793859503,"score_gpt":0.2057671490069799,"score_spread":0.1924784810683849,"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."}}