{"id":"W1974421682","doi":"10.1021/acs.accounts.5b00045","title":"Exploiting Metal–Ligand Bifunctional Reactions in the Design of Iron Asymmetric Hydrogenation Catalysts","year":2015,"lang":"en","type":"article","venue":"Accounts of Chemical Research","topic":"Asymmetric Hydrogenation and Catalysis","field":"Chemistry","cited_by":420,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Bifunctional; Enantiopure drug; Catalysis; Ligand (biochemistry); Combinatorial chemistry; Bifunctional catalyst; Amine gas treating; Enantioselective synthesis; Transfer hydrogenation; Steric effects; Ruthenium; Hydride; Organic chemistry; Asymmetric hydrogenation; Aryl; Metal","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":[],"consensus_categories":[],"category_scores_codex":[0.003867848,0.0001201993,0.0002384706,0.0007827514,0.00005245507,0.00002674194,0.0005718378,0.000159213,0.00007410849],"category_scores_gemma":[0.006657169,0.00009469251,0.00009729753,0.003447792,0.000187578,0.0002639842,0.0001163142,0.000444771,0.00003624729],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002455395,"about_ca_system_score_gemma":0.000253509,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003346398,"about_ca_topic_score_gemma":0.00000321331,"domain_scores_codex":[0.9965739,0.0001262646,0.0005610157,0.0002828271,0.00213954,0.0003164072],"domain_scores_gemma":[0.996834,0.00167566,0.0001945324,0.0004182561,0.0007744382,0.000103061],"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":[0.0001568832,0.0006868716,0.001837618,0.0001346982,0.0001044965,0.000006651553,0.0007263197,0.0002867614,0.9843922,0.0009077871,0.002233796,0.00852592],"study_design_scores_gemma":[0.0006158969,0.00002097361,0.00006894586,0.00002759771,0.00002752578,0.000009568554,0.001727359,0.001825218,0.9935764,0.000946056,0.001055853,0.00009861807],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9791891,0.0003833768,0.0002321334,0.0003346875,0.0000230537,0.0001445437,0.00001820954,0.00001658168,0.01965829],"genre_scores_gemma":[0.9993264,0.00003641929,0.000172667,0.00001645182,0.00007865799,0.00006517337,0.0001028112,0.00001564475,0.0001857501],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0201373,"threshold_uncertainty_score":0.7969733,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1369613686625355,"score_gpt":0.3619193192718744,"score_spread":0.2249579506093389,"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."}}