{"id":"W2256872463","doi":"10.1107/s160053681201029x","title":"1-(4-Chlorophenyl)-2-[4-hydroxy-3-(3-methoxybenzoyl)-1,1-dioxo-2<i>H</i>-1λ<sup>6</sup>,2-benzothiazin-2-yl]ethanone","year":2012,"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":"Intramolecular force; Dihedral angle; Intermolecular force; Ring (chemistry); Chemistry; Hydrogen bond; Molecule; Crystallography; Crystal (programming language); Crystal structure; Thiazine; Stereochemistry; Medicinal chemistry; 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":[0.0006246212,0.0009283025,0.0008290043,0.0004237892,0.0005396535,0.0001417426,0.0003930288,0.0009294089,0.0004194516],"category_scores_gemma":[0.0003432126,0.0008156043,0.0006782253,0.0007838918,0.0003469176,0.0001171142,0.0002913584,0.000733714,3.138866e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005643613,"about_ca_system_score_gemma":0.0001549719,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001492853,"about_ca_topic_score_gemma":0.0001607453,"domain_scores_codex":[0.9953727,0.0002550929,0.001163068,0.001206272,0.0007217519,0.001281122],"domain_scores_gemma":[0.9968418,0.00007503195,0.0007903896,0.001395407,0.0003494875,0.0005478555],"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":[0.0001571853,0.0004951723,0.0138023,0.00009171705,0.0004166666,0.00003583486,0.0002047777,0.0003137147,0.9789281,0.00002040462,0.003824372,0.001709766],"study_design_scores_gemma":[0.0007494183,0.0004070843,0.02042468,0.00006995315,0.0002843761,0.002824951,0.0006457576,0.0001601093,0.0114369,0.0007306089,0.9607739,0.00149225],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9917423,0.002395683,0.0009094968,0.000498824,0.001885642,0.0005311737,0.0003066084,0.0002104235,0.001519874],"genre_scores_gemma":[0.9861658,0.0006726468,0.003311566,0.0008387313,0.006556824,0.00004398036,0.001374569,0.0001818497,0.0008540396],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.9674912,"threshold_uncertainty_score":0.9994295,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00874065067146355,"score_gpt":0.2383612824556371,"score_spread":0.2296206317841736,"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."}}