{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000192158,0.0001310732,0.0003389761,0.00000691079,0.00009761671,0.00006670456,0.0002948819,0.0000433972,0.0001271338],"category_scores_gemma":[0.0004566774,0.00008592841,0.0003784258,0.00017359,0.0001698717,0.00005237727,0.0001916008,0.0002702421,0.000003728634],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009080521,"about_ca_system_score_gemma":0.00009436737,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003043815,"about_ca_topic_score_gemma":3.930716e-7,"domain_scores_codex":[0.9989781,0.00003401075,0.0003126052,0.0001484454,0.000328244,0.0001985925],"domain_scores_gemma":[0.9988338,0.0003211009,0.0003154833,0.0002347748,0.0001357739,0.0001590107],"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":[0.00002367565,0.00003779868,0.003620385,0.00003353445,0.0001400829,0.000008581029,0.0008307513,0.00001135631,0.9869695,0.000001775729,0.003473486,0.004849065],"study_design_scores_gemma":[0.0001690382,0.00002317078,0.0009697764,0.0001665414,0.00006077008,0.0003912434,0.003568003,0.00004342671,0.9910637,0.000195361,0.003210774,0.0001381802],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9933512,0.0003820416,0.00002018168,0.00518681,0.00005054639,0.00001655668,0.000001933655,0.00001070352,0.0009800871],"genre_scores_gemma":[0.9896321,0.0001165417,0.008331658,0.001393535,0.0002288673,0.000001146464,2.347092e-7,0.00001751014,0.0002784525],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008311477,"threshold_uncertainty_score":0.3504059,"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."}}