{"id":"W2315045433","doi":"10.1021/ja306868r","title":"Experimental Verification of the Homoaromaticity of 1,3,5-Cycloheptatriene and Evaluation of the Aromaticity of Tropone and the Tropylium Cation by Use of the Dimethyldihydropyrene Probe","year":2012,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Synthesis and Properties of Aromatic Compounds","field":"Chemistry","cited_by":43,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Victoria","funders":"","keywords":"Tropone; Chemistry; Cycloheptatriene; Yield (engineering); Aromaticity; Benzene; Chemical shift; Ketone; Ether; Computational chemistry; Medicinal chemistry; Organic chemistry; Physical chemistry; Molecule","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":[0.001301777,0.000152003,0.0005368901,0.000008946513,0.0001117377,0.00001093354,0.000603707,0.00006266627,0.00002166078],"category_scores_gemma":[0.0007452253,0.00006127841,0.0004987295,0.0002455181,0.002178193,0.0001220141,0.0002534912,0.0002154128,2.675364e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001032126,"about_ca_system_score_gemma":0.0000946252,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000312359,"about_ca_topic_score_gemma":9.420855e-7,"domain_scores_codex":[0.9974507,0.0004261896,0.0009299142,0.0001012526,0.0009546128,0.000137328],"domain_scores_gemma":[0.9950775,0.0006017851,0.003426145,0.0005976603,0.0002575147,0.00003939195],"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":[0.0001356941,0.0003055549,0.01080352,0.0001213825,0.0001992336,2.051566e-9,0.004526572,0.00002091849,0.9828924,0.00001885468,0.0002186394,0.0007572352],"study_design_scores_gemma":[0.0007623144,0.00003491006,0.03630253,0.0001821678,0.0004555864,0.000007225314,0.002355815,0.001956935,0.9576398,0.0002203077,0.0000183133,0.00006415782],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9977133,0.0009315416,0.0000382707,0.0009267981,0.00005985521,0.0002603248,0.00002351809,0.000001916971,0.0000445262],"genre_scores_gemma":[0.9989761,0.00007597749,0.000830706,0.00003804429,0.00004208531,0.000008655888,6.543515e-7,0.00001177651,0.00001607761],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02549901,"threshold_uncertainty_score":0.8025643,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02267851831126509,"score_gpt":0.2539821453680075,"score_spread":0.2313036270567423,"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."}}