{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001198629,0.0003864673,0.0004886893,0.0001873069,0.0002183971,0.0003126239,0.0007412293,0.0002560819,0.005482945],"category_scores_gemma":[0.0001495042,0.0002003945,0.0001270755,0.0002698556,0.0002305028,0.0002856277,0.0003080052,0.0004046963,0.003432937],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003234075,"about_ca_system_score_gemma":0.0004079031,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001493257,"about_ca_topic_score_gemma":0.002821322,"domain_scores_codex":[0.9998398,0.00002004863,0.000008207042,0.00002774308,0.00005494701,0.00004926043],"domain_scores_gemma":[0.9999304,0.000004170657,0.00002714997,0.000005599231,0.00001139829,0.00002120702],"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":[0.0007254134,0.00008885992,0.0004488566,0.0006690349,0.00002315158,0.0002929259,0.00005335799,0.0004885097,0.9791565,0.0009833244,0.001190363,0.01587973],"study_design_scores_gemma":[0.000860673,0.004286148,0.01356032,0.0001082506,0.00006815542,0.001576364,0.0001669922,0.002502593,0.836392,0.0003085237,0.1400892,0.00008061933],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8783461,0.03168226,0.01857196,0.001176678,0.0009407154,0.0004133641,0.001869364,0.002404666,0.064595],"genre_scores_gemma":[0.9559698,0.01002367,0.006824157,0.0003267229,0.0001292724,0.0001498509,0.001150679,0.00009435805,0.02533164],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005482945,"threshold_uncertainty_score":0.01834226,"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."}}