{"id":"W4251209349","doi":"10.1107/s1600536812040226","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>-(3-methoxybenzyl)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":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Acetamide; Dihedral angle; Ring (chemistry); Benzene; Hydrogen bond; Chemistry; Unit (ring theory); Crystal structure; Crystal (programming language); Crystallography; Envelope (radar); Bioinformatics; Medicinal chemistry; Stereochemistry; Molecule; Organic chemistry; Mathematics; 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":[0.0001272183,0.0003092864,0.0003788367,0.000159434,0.0002020774,0.0001606525,0.0005303745,0.000168799,0.00634986],"category_scores_gemma":[0.00008967386,0.0001490924,0.0001048385,0.0002486209,0.0001995616,0.000156993,0.000184223,0.0003232469,0.002305304],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003079338,"about_ca_system_score_gemma":0.0004992494,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001417934,"about_ca_topic_score_gemma":0.002204407,"domain_scores_codex":[0.9999086,0.00001139168,0.000004229631,0.00001558065,0.00002580207,0.00003453529],"domain_scores_gemma":[0.9999619,0.000004348206,0.00001153273,0.000005395656,0.000005063807,0.0000118468],"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":[0.0009351326,0.0001172946,0.0001929058,0.0005820696,0.00001952217,0.000336696,0.00004409826,0.0006801223,0.976738,0.001460935,0.002856354,0.01603685],"study_design_scores_gemma":[0.00112669,0.002999971,0.004947432,0.0000538056,0.00004733443,0.0009680465,0.00008698558,0.002650526,0.8829805,0.000300266,0.1037953,0.00004309442],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8928058,0.01158014,0.02024204,0.001304291,0.00116934,0.0005319756,0.003884697,0.001921094,0.06656057],"genre_scores_gemma":[0.9567692,0.007492651,0.009068227,0.0002587263,0.0001175215,0.0001872073,0.001490778,0.00006218742,0.02455346],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00634986,"threshold_uncertainty_score":0.02124238,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008716910946182863,"score_gpt":0.2433994386922038,"score_spread":0.2346825277460209,"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."}}