{"id":"W4406778779","doi":"10.1039/d4sc07461k","title":"Connecting the complexity of stereoselective synthesis to the evolution of predictive tools","year":2025,"lang":"en","type":"review","venue":"Chemical Science","topic":"Asymmetric Synthesis and Catalysis","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"Natural Sciences and Engineering Research Council of Canada; University of British Columbia","keywords":"Stereoselectivity; Computer science; Combinatorial chemistry; Computational biology; Chemistry; Biology; 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":[0.001549089,0.0006263109,0.0008583925,0.001340269,0.0003767408,0.001623253,0.001045597,0.001098544,0.002132708],"category_scores_gemma":[0.001353653,0.0004544528,0.0003929628,0.001001037,0.001833255,0.002790138,0.0009151593,0.003534457,0.001350858],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001230246,"about_ca_system_score_gemma":0.001343574,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006802016,"about_ca_topic_score_gemma":0.000912669,"domain_scores_codex":[0.9995622,0.0001096373,0.00003015367,0.00008374496,0.000165732,0.00004856618],"domain_scores_gemma":[0.9992631,0.0005381604,0.00003651777,0.00004818544,0.0000875579,0.00002635866],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00006292946,0.00007104789,0.0001501368,0.009992478,0.00008913179,0.0002997965,0.0002963569,0.004537622,0.01277926,0.3803194,0.01100449,0.5803973],"study_design_scores_gemma":[0.0000138067,0.0001204403,0.0001897584,0.001538052,0.00004537813,0.0005661806,0.00009877986,0.001487704,0.00786883,0.07973371,0.9082992,0.00003816207],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.001460839,0.9717835,0.01380057,0.001978797,0.0004057419,0.00001528403,0.00004237204,0.00006881604,0.01044415],"genre_scores_gemma":[0.01846516,0.9715385,0.006228091,0.0008761783,0.0004445111,0.00004231484,0.00005055612,0.00002695871,0.002327768],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.002132708,"threshold_uncertainty_score":0.008926034,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.06237760740907144,"score_gpt":0.314111994673696,"score_spread":0.2517343872646246,"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."}}