{"id":"W2519805142","doi":"10.1021/jacs.6b08276","title":"Origins of Selectivity and General Model for Chiral Phosphoric Acid-Catalyzed Oxetane Desymmetrizations","year":2016,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":59,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Division of Chemistry; Fonds de recherche du Québec – Nature et technologies","keywords":"Chemistry; Steric effects; Oxetane; Catalysis; Phosphoric acid; Enantiomer; Selectivity; Density functional theory; Computational chemistry; Transition state; Rational design; Combinatorial chemistry; Stereochemistry; Organic chemistry; Nanotechnology","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003685796,0.0007621965,0.001026146,0.0007994008,0.0004532438,0.0009064664,0.001551437,0.001145818,0.003520006],"category_scores_gemma":[0.0005648755,0.0003916133,0.0006729881,0.0003684361,0.001210778,0.001373013,0.0006424861,0.001102142,0.0005216589],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001314309,"about_ca_system_score_gemma":0.0008915437,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001786806,"about_ca_topic_score_gemma":0.001681991,"domain_scores_codex":[0.9998316,0.00001992877,0.00000876706,0.0000394417,0.00005369497,0.00004641354],"domain_scores_gemma":[0.9998957,0.00003870423,0.00001693156,0.00001555657,0.00001648089,0.00001660287],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002408522,0.0001323618,0.001250793,0.0005337918,0.00003699179,0.0008739899,0.0001851404,0.1149481,0.08311805,0.7885138,0.001062662,0.009103442],"study_design_scores_gemma":[0.0001137172,0.0003268605,0.0008081337,0.00003591831,0.00003358417,0.0004695999,0.0001340697,0.7624602,0.02364039,0.2095743,0.002350381,0.00005277057],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7723835,0.002827998,0.1631185,0.00274815,0.00025835,0.0002881262,0.001067653,0.0005499794,0.0567577],"genre_scores_gemma":[0.9863495,0.001155945,0.008691728,0.000144784,0.00003065532,0.0001430583,0.0002503546,0.00005365271,0.003180288],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003520006,"threshold_uncertainty_score":0.01177561,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01154503865133717,"score_gpt":0.263720029163218,"score_spread":0.2521749905118809,"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."}}