{"id":"W4200020127","doi":"10.1021/jacs.1c11728","title":"Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","year":2021,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Synthesis and Properties of Aromatic Compounds","field":"Chemistry","cited_by":23,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"Université de Montréal; Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; Canada Foundation for Innovation","keywords":"Antiaromaticity; Cyclooctatetraene; Chemistry; Aromaticity; Stacking; Furan; Planar; Benzene; Computational chemistry; Homogeneous; Chemical physics; Molecule; Crystallography; Combinatorial chemistry; Organic chemistry; Thermodynamics","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002555092,0.0004166305,0.0002720415,0.0002400006,0.0001430049,0.0003898829,0.0004097035,0.0003611281,0.0008872409],"category_scores_gemma":[0.000236318,0.0003537562,0.0001200624,0.0001817758,0.0002427753,0.0005888852,0.0003021971,0.000418278,0.0006738802],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00034508,"about_ca_system_score_gemma":0.0002204325,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002934355,"about_ca_topic_score_gemma":0.0009718331,"domain_scores_codex":[0.9998813,0.00002189324,0.000009781184,0.00002824692,0.00002514381,0.00003367579],"domain_scores_gemma":[0.9998708,0.00002164418,0.00003149462,0.00001386555,0.00002938507,0.00003273171],"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":[0.00005399269,0.00005250122,0.0001657466,0.00009110125,0.000006743183,0.00007218677,0.0000483711,0.0007605993,0.9940755,0.001521979,0.0001384131,0.003012736],"study_design_scores_gemma":[0.00003296699,0.0002878555,0.0002860009,0.000008046397,0.000006334129,0.00006779021,0.00002777354,0.003312898,0.9895075,0.0001740805,0.006273319,0.00001554624],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9697842,0.001816577,0.02080077,0.0001694984,0.000112117,0.0003816088,0.0002464636,0.0002915989,0.006397118],"genre_scores_gemma":[0.9302153,0.001666301,0.06173832,0.0001492592,0.00003255707,0.0003941298,0.0003556487,0.0001000159,0.005348332],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008872409,"threshold_uncertainty_score":0.002968132,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0137139675791657,"score_gpt":0.2390665552486841,"score_spread":0.2253525876695184,"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."}}