{"id":"W1991228726","doi":"10.1107/s160053681203187x","title":"2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>-pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)-<i>N</i>-(2-fluorobenzyl)acetamide","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":"Acetamide; Dihedral angle; Ring (chemistry); Hydrogen bond; Benzene; Chemistry; Crystallography; Crystal (programming language); Crystal structure; Unit (ring theory); Stereochemistry; Bioinformatics; Molecule; Mathematics; Organic chemistry; Computer science","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":[0.00009100984,0.000297129,0.0003048225,0.000115762,0.0001863155,0.0001668496,0.000380619,0.0001620523,0.0045027],"category_scores_gemma":[0.00007469592,0.0001071253,0.0001050087,0.0001379045,0.0001597859,0.0001604473,0.0001474585,0.0003235216,0.001519157],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002393813,"about_ca_system_score_gemma":0.0003684042,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001476465,"about_ca_topic_score_gemma":0.002837882,"domain_scores_codex":[0.9999156,0.000009808573,0.000003560875,0.00001703757,0.00001738282,0.00003654691],"domain_scores_gemma":[0.9999698,0.000003447183,0.000008063487,0.000003554395,0.00000483731,0.00001011043],"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":[0.0007385905,0.00008755527,0.0001521624,0.0003212795,0.000009543356,0.0001906148,0.00003800796,0.0003151179,0.9841627,0.0007087233,0.001183862,0.01209193],"study_design_scores_gemma":[0.0004593275,0.003870208,0.005290686,0.00004097695,0.00002834622,0.0008125714,0.00007770743,0.002015038,0.9383764,0.0001365863,0.04885917,0.00003308448],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9209533,0.01374301,0.01317436,0.0006029376,0.0006517392,0.0002454892,0.001658441,0.001269611,0.04770125],"genre_scores_gemma":[0.974512,0.003754506,0.004437802,0.0001706445,0.0000579556,0.0000953069,0.0007468632,0.00003482246,0.01619006],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0045027,"threshold_uncertainty_score":0.01506311,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007911533625240505,"score_gpt":0.2343726526259633,"score_spread":0.2264611190007228,"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."}}