{"id":"W1819951922","doi":"10.1039/c5cp01896j","title":"Investigation of the interaction between a novel unnatural chiral ligand and reactant on palladium for asymmetric hydrogenation","year":2015,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Surface Chemistry and Catalysis","field":"Engineering","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Kootenay Association for Science & Technology","funders":"","keywords":"Palladium; Ligand (biochemistry); Chemistry; Combinatorial chemistry; Chiral ligand; Asymmetric hydrogenation; Computational chemistry; Photochemistry; Organic chemistry; Enantioselective synthesis; Catalysis","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":[0.00007047281,0.000174213,0.0001576634,0.00007439678,0.0001039746,0.0001840397,0.0003086952,0.0002048527,0.0005197278],"category_scores_gemma":[0.00009892974,0.0000844884,0.0001137986,0.00007027156,0.0001835707,0.0002206491,0.0002102679,0.0002914918,0.0001665748],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001610146,"about_ca_system_score_gemma":0.0001101309,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003643892,"about_ca_topic_score_gemma":0.0004683421,"domain_scores_codex":[0.9999294,0.0000115074,0.000002801465,0.00001555194,0.00002546294,0.00001518319],"domain_scores_gemma":[0.9999703,0.00001020733,0.000006748089,0.00000355445,0.000004019984,0.000005088622],"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":[0.00004854098,0.00002056843,0.0001388118,0.00006971906,0.000008335446,0.0001345472,0.00002590391,0.0004556424,0.9960193,0.0007978437,0.00002471469,0.002256171],"study_design_scores_gemma":[0.000004666293,0.00009828094,0.0002464561,0.000001688621,0.00000759054,0.0001028583,0.00002217523,0.002627468,0.9956331,0.00006936586,0.001182805,0.000003582824],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9918219,0.0008837807,0.005153833,0.00006178433,0.00001315637,0.000009859928,0.00002726093,0.00002712925,0.002001204],"genre_scores_gemma":[0.9971505,0.0003982269,0.001682542,0.00002028422,0.000004330981,0.000005373518,0.00002560361,0.000006498213,0.0007066797],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0005197278,"threshold_uncertainty_score":0.001738667,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02922899769635792,"score_gpt":0.2363623445165622,"score_spread":0.2071333468202043,"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."}}