{"id":"W2113998380","doi":"10.1039/b9nj00771g","title":"The influence of electron delocalization upon the stability and structure of potential N-heterocyclic carbene precursors with 1,3-diaryl-imidazolidine-4,5-dione skeletons","year":2010,"lang":"en","type":"article","venue":"New Journal of Chemistry","topic":"N-Heterocyclic Carbenes in Organic and Inorganic Chemistry","field":"Chemistry","cited_by":60,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Chemistry; Imidazolidine; Medicinal chemistry; Carbene; Aryl; Hexafluorophosphate; Oxalyl chloride; Electrophile; Aryl halide; Alkyl; Organic chemistry; Ionic liquid; Catalysis","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002025971,0.0002963342,0.0004346416,0.0000179457,0.0001629922,0.00004402014,0.0007300608,0.0003088352,0.0002497925],"category_scores_gemma":[0.0003116693,0.0001814978,0.0001502588,0.0001778214,0.0004810829,0.0001486442,0.0001263694,0.001050664,1.202117e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007136465,"about_ca_system_score_gemma":0.0003209386,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004307719,"about_ca_topic_score_gemma":0.00004329364,"domain_scores_codex":[0.9978979,0.00002417932,0.0008829632,0.000258373,0.0006172051,0.00031944],"domain_scores_gemma":[0.9973119,0.0002199797,0.001196417,0.0006888945,0.0003909763,0.0001917985],"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":[0.0002933972,0.0000469951,0.001695441,0.0002339297,0.0001406116,0.000002903669,0.0002189193,0.0004409225,0.9963717,0.00001155811,0.00006427195,0.0004793521],"study_design_scores_gemma":[0.0009731266,0.00004233299,0.0009422646,0.0001043333,0.0001785837,0.0007128879,0.0002661419,0.00006134653,0.9958912,0.000332361,0.0003193862,0.0001760783],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.998584,0.0006395894,0.00007711659,0.0002535384,0.0000786649,0.00006413208,0.00002862107,0.00001291982,0.0002614626],"genre_scores_gemma":[0.999072,0.0002999229,0.0001066928,0.00001270459,0.0004089143,0.00000111643,0.000008365938,0.0000342747,0.00005603532],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007531762,"threshold_uncertainty_score":0.7401267,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.002533328265272877,"score_gpt":0.1988486784151546,"score_spread":0.1963153501498817,"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."}}