{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0007676833,0.0002665198,0.0004070236,0.000668124,0.0003817308,0.00006026761,0.0004622521,0.0001012612,0.001316294],"category_scores_gemma":[0.0001730181,0.0003023658,0.0001340578,0.00220379,0.00005369587,0.0002471698,0.0004273597,0.0003179765,0.00005835532],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003838649,"about_ca_system_score_gemma":0.00007391626,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006274318,"about_ca_topic_score_gemma":0.00005155936,"domain_scores_codex":[0.9976999,0.0000794819,0.0005069488,0.0006627881,0.0006866284,0.0003642759],"domain_scores_gemma":[0.998762,0.0001657927,0.0002346894,0.0006412837,0.00005627085,0.0001399255],"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":[0.0005176667,0.002211934,0.006665284,0.000268718,0.001884649,0.0006426695,0.008666914,0.01000215,0.8443038,0.00793961,0.001895816,0.1150008],"study_design_scores_gemma":[0.003011104,0.00005184772,0.0004561255,0.00001433313,0.0006658672,0.0001302938,0.00409215,0.02593816,0.955337,0.004916401,0.004167344,0.001219417],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9935809,0.000997244,0.002280189,0.0004839341,0.00006576385,0.000163087,0.00008482471,0.0001461169,0.00219799],"genre_scores_gemma":[0.9959787,0.0001056549,0.0003107613,0.0001249623,0.00003354721,0.0002807117,0.00161018,0.00004467039,0.001510831],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1137814,"threshold_uncertainty_score":0.9999428,"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."}}