{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0005845253,0.0008628441,0.000750134,0.0003725683,0.0005259454,0.0001263432,0.0003771298,0.0007754595,0.0003237093],"category_scores_gemma":[0.0002698084,0.0007638412,0.0006238238,0.0007384083,0.0003332588,0.000113425,0.0002822181,0.0006701531,2.516588e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004987555,"about_ca_system_score_gemma":0.0001571212,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001436156,"about_ca_topic_score_gemma":0.0003663359,"domain_scores_codex":[0.995717,0.0002028986,0.0010791,0.001092043,0.0006475747,0.001261411],"domain_scores_gemma":[0.9969655,0.00006419257,0.0007658606,0.001355195,0.0003230541,0.0005262574],"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":[0.0001179922,0.0004145965,0.02120977,0.00006783321,0.0003193464,0.00002359157,0.00008958959,0.00004176169,0.9689009,0.00001666496,0.005981187,0.002816833],"study_design_scores_gemma":[0.0005272882,0.0002765928,0.03632662,0.00004500136,0.0002013506,0.001620233,0.0002689387,0.0000131394,0.02426329,0.0004521857,0.9348884,0.001116911],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9899752,0.003077111,0.0004700756,0.0005468919,0.003110049,0.0005122428,0.0002443838,0.0002263444,0.001837708],"genre_scores_gemma":[0.988553,0.0007628314,0.002322878,0.001225451,0.005170922,0.00003958073,0.001091835,0.0001691654,0.0006643693],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.9446375,"threshold_uncertainty_score":0.9994813,"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."}}