{"id":"W7133041997","doi":"","title":"Transition Metal Hydride Complexes: From Computation to Catalysis and Everything in Between","year":2022,"lang":"","type":"dissertation","venue":"TSpace","topic":"Asymmetric Hydrogenation and Catalysis","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Hydride; Moiety; Carbene; Transition metal; Catalysis; Transfer hydrogenation; Transition state; Ruthenium","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":[0.0004406493,0.0005093897,0.000613317,0.000285504,0.0005970123,0.001458118,0.0009321171,0.001076536,0.004517888],"category_scores_gemma":[0.001321267,0.0004088649,0.0004073789,0.0007135335,0.001086245,0.001249366,0.0008200458,0.001447274,0.0004996146],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000795038,"about_ca_system_score_gemma":0.0009604695,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002607035,"about_ca_topic_score_gemma":0.003050644,"domain_scores_codex":[0.9998949,0.00004162921,0.000003704272,0.00001732047,0.00002806308,0.00001451035],"domain_scores_gemma":[0.9996696,0.0002500569,0.00001137632,0.00003217082,0.00002260267,0.00001430224],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001028443,0.0001023397,0.0009963572,0.0003861522,0.00005861704,0.0001332065,0.000217866,0.7536204,0.001591719,0.1995788,0.003953166,0.03925865],"study_design_scores_gemma":[0.00005155812,0.0000257476,0.0001603473,0.00005575666,0.000009976941,0.00001690225,0.0001034809,0.8712612,0.00116137,0.1183092,0.008832551,0.00001192857],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.4546981,0.01040679,0.3551757,0.01033752,0.0005503402,0.0002594152,0.001493947,0.002518294,0.1645599],"genre_scores_gemma":[0.8423172,0.004184932,0.1428621,0.0005225578,0.00009525215,0.0005543481,0.0007195632,0.0004870001,0.008257034],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004517888,"threshold_uncertainty_score":0.01511383,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01866343261029379,"score_gpt":0.3250091815526392,"score_spread":0.3063457489423454,"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."}}