{"id":"W78757583","doi":"10.1107/s1600536811052706","title":"3-[(3-Benzoyl-4-hydroxy-1,1-dioxo-2<i>H</i>-1λ<sup>6</sup>,2-benzothiazin-2-yl)methyl]benzonitrile","year":2011,"lang":"en","type":"article","venue":"Acta Crystallographica Section E Structure Reports Online","topic":"Phenothiazines and Benzothiazines Synthesis and Activities","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Benzonitrile; Chemistry; Hydrogen bond; Benzene; Crystallography; Ring (chemistry); Dihedral angle; Crystal structure; Bioinformatics; Medicinal chemistry; Molecule; Organic chemistry","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0003841903,0.000874976,0.0007760105,0.0004648059,0.0005048707,0.0001203008,0.0004669072,0.000878568,0.0005874908],"category_scores_gemma":[0.0002329889,0.0007723084,0.0006681515,0.000783407,0.0003674389,0.00007585865,0.0002640992,0.0006798605,2.805395e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004100324,"about_ca_system_score_gemma":0.0002033217,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004143296,"about_ca_topic_score_gemma":0.0005582945,"domain_scores_codex":[0.9956678,0.000190921,0.001148096,0.001462217,0.0006045811,0.0009263886],"domain_scores_gemma":[0.9969695,0.00004440914,0.0007622808,0.001421879,0.0004246182,0.0003773736],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0002364123,0.0004920475,0.009473633,0.00008640868,0.0004829929,0.0001267289,0.0003000615,0.0001653905,0.9826587,0.0000269147,0.004081946,0.001868776],"study_design_scores_gemma":[0.001041026,0.000960241,0.02445187,0.00009578686,0.00035023,0.002833452,0.0009965209,0.0002695118,0.01913804,0.003060894,0.9448966,0.001905799],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9924796,0.001006837,0.0004308664,0.0002041923,0.001165396,0.0005346342,0.00033141,0.0002239173,0.003623155],"genre_scores_gemma":[0.9918911,0.0006037812,0.002310997,0.0006245527,0.002558977,0.00004241399,0.001068732,0.0001622385,0.0007371761],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.9635206,"threshold_uncertainty_score":0.9994728,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0119077403678106,"score_gpt":0.2235415982232014,"score_spread":0.2116338578553908,"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."}}