{"id":"W2748630877","doi":"10.1002/slct.201701609","title":"Ligand Dynamics and Aerobic Allylic Oxidation with Bifunctional Ni(NHC) Complexes","year":2017,"lang":"en","type":"article","venue":"ChemistrySelect","topic":"N-Heterocyclic Carbenes in Organic and Inorganic Chemistry","field":"Chemistry","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"Natural Sciences and Engineering Research Council of Canada; Western University","keywords":"Bifunctional; Chemistry; Ligand (biochemistry); Moiety; Reactivity (psychology); Carbene; Allylic rearrangement; Acrolein; Ketone; Medicinal chemistry; Stereochemistry; Organic chemistry; Catalysis","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":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.00007671458,0.0003734286,0.0003292646,0.00001774327,0.0006603004,0.0003037055,0.0005349015,0.0002642535,0.001142277],"category_scores_gemma":[0.0001381728,0.0003546996,0.00006675335,0.00005776668,0.0004146243,0.0001978343,0.0002115672,0.0003714926,0.00001532651],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002266553,"about_ca_system_score_gemma":0.000120968,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005252877,"about_ca_topic_score_gemma":0.00004689884,"domain_scores_codex":[0.9983445,0.000004042306,0.0002896574,0.0006370816,0.0003141781,0.000410555],"domain_scores_gemma":[0.9983539,0.00005539609,0.0003179608,0.0009754695,0.0001115857,0.0001856633],"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":[0.00006850298,0.00005327927,0.01092097,0.0002284073,0.0001025145,0.00001087914,0.00003455892,0.000001017364,0.9862835,0.00007711464,0.0009316375,0.00128757],"study_design_scores_gemma":[0.001146348,0.00002138814,0.001612848,0.00009824567,0.00007841206,0.0004406841,0.0001102479,0.0002389777,0.9943073,0.0001216874,0.001361294,0.0004626135],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9621217,0.0001732262,0.0001503191,0.0002421119,0.00007028129,0.00004902321,0.00003131402,0.0001415952,0.03702038],"genre_scores_gemma":[0.9912335,0.00009663822,0.0002159047,0.00004794338,0.0004529108,0.00001760467,0.0002926719,0.00006192118,0.007580946],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02943943,"threshold_uncertainty_score":0.9998905,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007973533052549376,"score_gpt":0.2194250610913887,"score_spread":0.2114515280388393,"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."}}