{"id":"W2125120974","doi":"10.1139/cjc-2015-0417","title":"An experimental and computational comparison of phosphorus- and selenium-based ligands for catalysis","year":2015,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Organoselenium and organotellurium chemistry","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":16,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Winnipeg; University of Manitoba","funders":"","keywords":"Chemistry; Moiety; Reactivity (psychology); Chelation; Palladium; Ligand (biochemistry); Selenium; Density functional theory; Catalysis; Crystal structure; Coordination complex; Stereochemistry; Nuclear magnetic resonance spectroscopy; Medicinal chemistry; Crystallography; Inorganic chemistry; Organic chemistry; Metal; Computational chemistry","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":true,"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":[0.0007526122,0.0005059955,0.00059703,0.0006825861,0.0005138169,0.001076049,0.00140135,0.0009357134,0.006659783],"category_scores_gemma":[0.001534375,0.0002698476,0.0003253716,0.0008604578,0.0005409165,0.0005968482,0.000351483,0.0004811675,0.0004009521],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001140941,"about_ca_system_score_gemma":0.0007911413,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004055128,"about_ca_topic_score_gemma":0.005439708,"domain_scores_codex":[0.9997599,0.00007699646,0.00001162343,0.00002580059,0.00007245817,0.00005324186],"domain_scores_gemma":[0.9991942,0.000536673,0.00005590317,0.00006529325,0.0001170099,0.00003094562],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0003913071,0.0002385704,0.00272013,0.0005207171,0.00005862196,0.0001796767,0.00004963997,0.9606649,0.003156237,0.01942337,0.0022212,0.01037568],"study_design_scores_gemma":[0.0002516037,0.0001940741,0.0006879836,0.00003636585,0.00003193021,0.00003272846,0.0001531103,0.9892393,0.004156819,0.003291006,0.001914528,0.00001042042],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9278057,0.002110357,0.008708238,0.0008879009,0.00006380266,0.00006977744,0.001704975,0.0003424126,0.05830684],"genre_scores_gemma":[0.9904729,0.0005103525,0.006957461,0.00008456213,0.00001582539,0.0001034106,0.0006795118,0.00004539261,0.001130561],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006659783,"threshold_uncertainty_score":0.02227914,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0631092490317543,"score_gpt":0.3854568502478428,"score_spread":0.3223476012160885,"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."}}