{"id":"W2088200678","doi":"10.1107/s1600536812002188","title":"3,4-Dimethyl-2-(2-oxo-2-phenylethyl)-2<i>H</i>,4<i>H</i>-pyrazolo[4,3-<i>c</i>][1,2]benzothiazine-5,5-dione","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":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Ring (chemistry); Dihedral angle; Benzothiazine; Chemistry; Benzene; Hydrogen bond; Pyrazole; Crystallography; Stereochemistry; Medicinal chemistry; Bioinformatics; 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":[0.0001400858,0.0003026206,0.0003160688,0.0001790954,0.0002428116,0.0001209534,0.0004495311,0.000184358,0.005721253],"category_scores_gemma":[0.00009581811,0.0001343495,0.0001111693,0.000211676,0.000162843,0.0001547746,0.0001867005,0.0003310974,0.001635885],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002322548,"about_ca_system_score_gemma":0.0005227794,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001529651,"about_ca_topic_score_gemma":0.00398588,"domain_scores_codex":[0.9998991,0.00001359473,0.000004734907,0.00001597653,0.00002235726,0.00004411999],"domain_scores_gemma":[0.9999567,0.000005374983,0.000008419654,0.000007180734,0.00000569503,0.00001648985],"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":[0.001435288,0.0001248942,0.0002756191,0.000388917,0.00001798438,0.0002357963,0.00005563468,0.0006024077,0.9792132,0.0009098975,0.001986259,0.01475414],"study_design_scores_gemma":[0.000503337,0.003251563,0.005055193,0.00002768116,0.00002458932,0.0005009784,0.00006215971,0.001778779,0.9330301,0.0001732331,0.05555776,0.00003461749],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9136102,0.01365009,0.01701977,0.001008103,0.001409567,0.0004077616,0.004285239,0.001550761,0.04705853],"genre_scores_gemma":[0.9616134,0.005166538,0.006631092,0.0002374685,0.0000902656,0.0001518667,0.001830266,0.00004715697,0.02423213],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005721253,"threshold_uncertainty_score":0.01913947,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008263011791299785,"score_gpt":0.2378352771294086,"score_spread":0.2295722653381088,"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."}}