{"id":"W4224079605","doi":"10.1021/acscatal.1c05636","title":"Mechanism and Catalyst Design in Ru-Catalyzed Alkene Hydrophosphination","year":2022,"lang":"en","type":"article","venue":"ACS Catalysis","topic":"Asymmetric Hydrogenation and Catalysis","field":"Chemistry","cited_by":25,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta; University of Victoria","funders":"Natural Sciences and Engineering Research Council of Canada; Mitacs","keywords":"Chemistry; Catalytic cycle; Alkene; Catalysis; Medicinal chemistry; Diphenylphosphine; Ruthenium; Photochemistry; Ligand (biochemistry); Stereochemistry; Phosphine; 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":[0.0005097273,0.0003307996,0.0002857649,0.0001850173,0.0001694198,0.0005207952,0.0007521889,0.0004781618,0.0008090147],"category_scores_gemma":[0.0004975096,0.0002597936,0.0002119189,0.0001534766,0.0003235731,0.0005706993,0.0003491893,0.0007051307,0.0004369481],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003684777,"about_ca_system_score_gemma":0.0001899254,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002111845,"about_ca_topic_score_gemma":0.0004123413,"domain_scores_codex":[0.9997246,0.00005003541,0.00003518307,0.0000676859,0.00006448257,0.00005808578],"domain_scores_gemma":[0.9998662,0.00003681937,0.00002600924,0.00003351771,0.00001884456,0.00001858985],"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":[0.0001977385,0.00005542459,0.0003328646,0.0002769061,0.00001799373,0.0001453294,0.00009592772,0.001684805,0.9879751,0.00265942,0.00009280032,0.00646568],"study_design_scores_gemma":[0.00001840766,0.0002531946,0.0003499405,0.000007009525,0.000008684945,0.0001263849,0.00002821118,0.003079701,0.994241,0.0002066758,0.00166912,0.00001184107],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.983345,0.001400943,0.01075727,0.0001180331,0.0000249259,0.0001413617,0.0001481153,0.0001417232,0.003922718],"genre_scores_gemma":[0.9945053,0.0004610678,0.004066644,0.00003002276,0.000004239955,0.00005026093,0.00009054054,0.00001838359,0.0007734264],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008090147,"threshold_uncertainty_score":0.002706409,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01079176621009487,"score_gpt":0.2155287038354704,"score_spread":0.2047369376253755,"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."}}