{"id":"W1972121678","doi":"10.1107/s1600536812023677","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)acetic acid","year":2012,"lang":"en","type":"article","venue":"Acta Crystallographica Section E Structure Reports Online","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Dihedral angle; Ring (chemistry); Benzene; Chemistry; Hydrogen bond; Pyrazole; Crystal structure; Acetic acid; Crystallography; Crystal (programming language); 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":[0.00008265252,0.0002400732,0.0003100427,0.0001418331,0.0001667784,0.0001442573,0.0003647759,0.0001697736,0.003501363],"category_scores_gemma":[0.00008510554,0.0001170359,0.00009108007,0.0001783133,0.0001270826,0.0001233738,0.0001273913,0.0002943071,0.001398153],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002101111,"about_ca_system_score_gemma":0.0003991878,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001401058,"about_ca_topic_score_gemma":0.003232062,"domain_scores_codex":[0.9999301,0.000009995423,0.000003857587,0.00001243097,0.00001450213,0.00002907183],"domain_scores_gemma":[0.9999682,0.000003597264,0.000007350858,0.000004402046,0.000004599199,0.00001173553],"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":[0.0009369853,0.00009811494,0.0001545353,0.0003657587,0.00001377839,0.0001994894,0.00003120626,0.0004849861,0.9828841,0.0006486449,0.001257712,0.01292465],"study_design_scores_gemma":[0.0005158863,0.004052411,0.004930625,0.00003818421,0.00003377827,0.0006386995,0.00006399387,0.0021697,0.9469163,0.0001689497,0.04043696,0.00003467024],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9152859,0.01976994,0.01516474,0.0008127776,0.001017382,0.0003099228,0.002204528,0.001333095,0.04410168],"genre_scores_gemma":[0.9779534,0.004958683,0.004667187,0.000148594,0.00006726703,0.00007682766,0.0006859304,0.00002347589,0.01141859],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003501363,"threshold_uncertainty_score":0.01171321,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01167611237965886,"score_gpt":0.2371929981196827,"score_spread":0.2255168857400239,"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."}}