{"id":"W3157783383","doi":"10.1021/acscatal.1c00613","title":"Structurally-Responsive Ligands for High-Performance Catalysts","year":2021,"lang":"en","type":"article","venue":"ACS Catalysis","topic":"Synthetic Organic Chemistry Methods","field":"Chemistry","cited_by":56,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"","keywords":"Catalysis; Denticity; Ligand (biochemistry); Chemistry; Selectivity; Combinatorial chemistry; Perspective (graphical); Nanotechnology; Materials science; Computer science; Metal; Organic chemistry; Receptor; Biochemistry","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":[0.0003248686,0.0003702629,0.000265481,0.000341802,0.0003140931,0.0008886771,0.000574813,0.0008489629,0.003965697],"category_scores_gemma":[0.0004265438,0.0002206625,0.0002006656,0.0002387554,0.0003910834,0.0007981551,0.000764079,0.001182261,0.002030286],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008644105,"about_ca_system_score_gemma":0.0002785237,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002302644,"about_ca_topic_score_gemma":0.0006018597,"domain_scores_codex":[0.9997522,0.00005348557,0.00001648716,0.00003507914,0.0001020504,0.00004076923],"domain_scores_gemma":[0.9998887,0.00003234932,0.0000250716,0.00001052876,0.00002105225,0.0000222822],"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":[0.0001169839,0.0001319432,0.0001912739,0.001262653,0.00001655753,0.0004527278,0.0002332871,0.006321129,0.8770472,0.05949012,0.0061786,0.04855744],"study_design_scores_gemma":[0.00005961477,0.0003893419,0.00030807,0.0001301012,0.00001432768,0.0006663917,0.0001531598,0.0156791,0.7932761,0.00753096,0.1817212,0.00007164123],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5128592,0.05131136,0.2702915,0.00716423,0.001184963,0.0006821037,0.001823245,0.005190142,0.1494931],"genre_scores_gemma":[0.8915147,0.013073,0.06936729,0.001198184,0.000262696,0.0005054971,0.0007544364,0.0003088642,0.02301529],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003965697,"threshold_uncertainty_score":0.01326662,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01152895528875087,"score_gpt":0.2566064150350345,"score_spread":0.2450774597462836,"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."}}