{"id":"W4362611283","doi":"10.1021/acscatal.2c03828","title":"Mesomeric Acceleration Counters Slow Initiation of Ruthenium–CAAC Catalysts for Olefin Metathesis (CAAC = Cyclic (Alkyl)(Amino) Carbene)","year":2023,"lang":"en","type":"article","venue":"ACS Catalysis","topic":"Synthetic Organic Chemistry Methods","field":"Chemistry","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada; Universitetet i Bergen; Norges Forskningsråd; University of Ottawa","keywords":"Carbene; Catalysis; Ruthenium; Olefin metathesis; Alkyl; Chemistry; Acyclic diene metathesis; Metathesis; Olefin fiber; Medicinal chemistry; Photochemistry; Combinatorial chemistry; Organic chemistry; Polymerization","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"],"consensus_categories":[],"category_scores_codex":[0.0007917708,0.0004130802,0.0007787316,0.0002848013,0.0001658994,0.00006575925,0.0006125596,0.0003031565,0.0002453198],"category_scores_gemma":[0.001417746,0.0004371788,0.0004458995,0.001316773,0.0001287562,0.0002636246,0.0001458228,0.0001698518,0.00008016732],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002533514,"about_ca_system_score_gemma":0.0001380596,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002207874,"about_ca_topic_score_gemma":0.00003125043,"domain_scores_codex":[0.9971591,0.00006624134,0.0009006834,0.0007411169,0.0006197115,0.0005131782],"domain_scores_gemma":[0.9966411,0.001163775,0.0006016885,0.001205273,0.0002506348,0.0001375414],"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":[0.00004393717,0.00009184403,0.0005989696,0.0003755938,0.0005721804,0.000004186963,0.001519853,0.00005398279,0.983728,0.00002157938,0.000980668,0.01200923],"study_design_scores_gemma":[0.0006541311,0.00001516199,0.0006619122,0.00005111563,0.0009138618,0.000009652976,0.001312563,0.0008693584,0.9937851,0.0002061734,0.001108473,0.0004124412],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9953447,0.0002571943,0.0007772765,0.0003376653,0.0001634025,0.0002109081,0.0004258426,0.0002850377,0.00219795],"genre_scores_gemma":[0.9932008,0.0001349003,0.001814385,0.00004968013,0.0002154009,0.000251117,0.002624818,0.0001108135,0.001598126],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01159679,"threshold_uncertainty_score":0.999808,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03487362108611553,"score_gpt":0.2937325695114332,"score_spread":0.2588589484253176,"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."}}