{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0006015554,0.0008510606,0.0009520411,0.0003128908,0.0004928093,0.0001113109,0.0003935245,0.001095474,0.004254657],"category_scores_gemma":[0.0006223862,0.0006659201,0.00066597,0.0009428705,0.0003968449,0.000610714,0.0002391863,0.00135765,4.051098e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001411403,"about_ca_system_score_gemma":0.00008659658,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001416669,"about_ca_topic_score_gemma":0.0001795328,"domain_scores_codex":[0.9953435,0.0001408561,0.001205182,0.001158798,0.0008085276,0.001343134],"domain_scores_gemma":[0.9965536,0.0002579459,0.0009720695,0.001316988,0.0002496209,0.0006497676],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00008429108,0.0005950779,0.06432642,0.00009681046,0.000246331,0.00006700439,0.00006949244,0.000004836732,0.9290996,0.000009948021,0.0007121956,0.00468796],"study_design_scores_gemma":[0.0005784147,0.0001391248,0.08643109,0.00008813957,0.000343778,0.003376669,0.000274621,0.00002372988,0.04500327,0.001890508,0.8603618,0.001488913],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.990842,0.001100914,0.0001023598,0.0005956374,0.001676051,0.0002539106,0.0002327949,0.0007676394,0.004428668],"genre_scores_gemma":[0.9935815,0.0002545833,0.001861117,0.0004895549,0.002890672,0.00003575844,0.0004830218,0.0001059174,0.0002978354],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.8840964,"threshold_uncertainty_score":0.9995792,"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."}}