{"id":"W2269503936","doi":"10.1107/s160053681201481x","title":"[2-(2,5-Dichlorobenzyl)-4-hydroxy-1,1-dioxo-2<i>H</i>-1,2-benzothiazin-3-yl](phenyl)methanone","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":"Ring (chemistry); Chemistry; Hydrogen bond; Crystal structure; Molecule; Crystallography; Crystal (programming language); Stereochemistry; Bioinformatics; Organic chemistry; Computer science; Biology","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":[0.00009081027,0.0002357968,0.0003168641,0.000152419,0.0001683399,0.0001592294,0.0004630037,0.0001476207,0.003067669],"category_scores_gemma":[0.0001016256,0.0001294894,0.0000833755,0.0002545442,0.0002182187,0.0001239672,0.0002027032,0.0002977265,0.0009690386],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002795881,"about_ca_system_score_gemma":0.0003750898,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001859438,"about_ca_topic_score_gemma":0.005139848,"domain_scores_codex":[0.9999224,0.00001488291,0.000003669928,0.00001377431,0.0000151894,0.00003008054],"domain_scores_gemma":[0.9999608,0.000004427954,0.00001062468,0.000004114091,0.000004999188,0.00001505671],"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":[0.0007164729,0.00005159899,0.0003679753,0.0004720847,0.00002075789,0.0002861741,0.00007859146,0.0004407781,0.982417,0.0009651616,0.001525019,0.0126584],"study_design_scores_gemma":[0.0005865322,0.004277746,0.01223622,0.00005894984,0.00005459248,0.001503694,0.0002064447,0.002109783,0.9104456,0.0003148917,0.06815349,0.00005210448],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9333088,0.01567185,0.01518254,0.0009796543,0.0005834275,0.0002534543,0.001876477,0.001194219,0.03094959],"genre_scores_gemma":[0.9811014,0.004132845,0.005058138,0.0001696533,0.00005090905,0.00005689241,0.0006670349,0.00002395983,0.008739341],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003067669,"threshold_uncertainty_score":0.01026237,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008226730830253083,"score_gpt":0.2357535117484674,"score_spread":0.2275267809182143,"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."}}