{"id":"W1971892270","doi":"10.1039/c4cy00594e","title":"Asymmetric hydrolytic kinetic resolution with recyclable polymeric Co(<scp>iii</scp>)–salen complexes: a practical strategy in the preparation of (S)-metoprolol, (S)-toliprolol and (S)-alprenolol: computational rationale for enantioselectivity","year":2014,"lang":"en","type":"article","venue":"Catalysis Science & Technology","topic":"Asymmetric Hydrogenation and Catalysis","field":"Chemistry","cited_by":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"Canadian Society of Intestinal Research","funders":"","keywords":"Alprenolol; Kinetic resolution; Chemistry; Hydrolysis; Metoprolol; Catalysis; Combinatorial chemistry; Kinetic energy; Enantioselective synthesis; Computational chemistry; Organic chemistry; Biochemistry; Receptor","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001830038,0.0002074374,0.0001313085,0.00009318973,0.00008650534,0.0003371993,0.0003300029,0.0001720342,0.001458428],"category_scores_gemma":[0.0002429737,0.0001298962,0.0001637239,0.00009262202,0.0001448936,0.00036622,0.0001798293,0.0003536872,0.0004693475],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002695979,"about_ca_system_score_gemma":0.0001713175,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005202849,"about_ca_topic_score_gemma":0.00115262,"domain_scores_codex":[0.9999528,0.000007935751,0.000002731082,0.00001072923,0.00001438671,0.00001133389],"domain_scores_gemma":[0.9999642,0.00001238094,0.000008876319,0.000005863952,0.000005107791,0.000003529154],"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":[0.0006841809,0.0002072442,0.001032156,0.0003893686,0.0000599917,0.0003617036,0.0001043285,0.02009854,0.9308185,0.0127029,0.0008161792,0.03272483],"study_design_scores_gemma":[0.00009846099,0.000338547,0.0004239335,0.00001006583,0.0000302152,0.000193327,0.00004436804,0.05038513,0.9431376,0.0007091149,0.004614632,0.00001466903],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9592092,0.0008395643,0.02809328,0.0001674164,0.00003288526,0.00005152552,0.0001770657,0.0001549038,0.01127399],"genre_scores_gemma":[0.9944609,0.0002760937,0.004169312,0.00001601167,0.000002783671,0.00001008121,0.00007879025,0.00001623067,0.0009698065],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001458428,"threshold_uncertainty_score":0.004878938,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01480562310889891,"score_gpt":0.2907089131579581,"score_spread":0.2759032900490592,"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."}}