{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003713394,0.0002773897,0.0001197682,0.0001447924,0.000315745,0.0001366585,0.0002604992,0.0002681569,0.003340504],"category_scores_gemma":[0.0002782558,0.0001243354,0.0001521071,0.0002028324,0.0003129966,0.0002393121,0.0002485709,0.0004198976,0.0003438809],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002833369,"about_ca_system_score_gemma":0.0002396901,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008772747,"about_ca_topic_score_gemma":0.001645836,"domain_scores_codex":[0.9998505,0.00002097374,0.000007571774,0.00002620772,0.00004743542,0.00004719041],"domain_scores_gemma":[0.9997552,0.00005804941,0.00006118354,0.00003772185,0.00005059848,0.00003726087],"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":[0.00008865463,0.00001505816,0.0001835494,0.00002605904,0.000002226455,0.00003298479,0.00003942411,0.00013242,0.9987759,0.0002209478,0.0000240567,0.0004586228],"study_design_scores_gemma":[0.000006255681,0.0002548292,0.000935438,0.000002226634,0.000003089409,0.00003025039,0.00002415171,0.000327447,0.9979078,0.00001920536,0.000485966,0.000003253142],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9958693,0.0001410149,0.00169873,0.0000316676,0.000005141666,0.00002125571,0.0003239801,0.00001903715,0.001889883],"genre_scores_gemma":[0.9968562,0.0001716496,0.001663301,0.00001137176,0.000003248307,0.00002832361,0.0002235599,0.000009036018,0.001033321],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003340504,"threshold_uncertainty_score":0.01117516,"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."}}