{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0007372376,0.0008775173,0.0007867076,0.0004089418,0.0005303214,0.0001290439,0.0003862525,0.000811524,0.0003198069],"category_scores_gemma":[0.0003664295,0.0007748582,0.0006543262,0.0008095815,0.0003497187,0.0001125758,0.0002891326,0.0007168726,2.409708e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005004448,"about_ca_system_score_gemma":0.0001600594,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001619349,"about_ca_topic_score_gemma":0.000369836,"domain_scores_codex":[0.9955614,0.0002599887,0.00110799,0.001123345,0.0006674696,0.001279802],"domain_scores_gemma":[0.9968444,0.00008382572,0.0008036784,0.001391919,0.0003368187,0.0005393274],"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":[0.0001227675,0.0003996621,0.02270982,0.00006935996,0.0003352972,0.00002374811,0.00009700857,0.0000523727,0.9691981,0.00002138139,0.004788793,0.002181703],"study_design_scores_gemma":[0.0005391109,0.0002789732,0.0430336,0.00004508753,0.0002187495,0.00167698,0.0003274921,0.00001720526,0.02035037,0.0005478032,0.931798,0.001166583],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9892749,0.003016213,0.0008097836,0.0005296191,0.003318477,0.0005211417,0.0002582041,0.0002222317,0.002049488],"genre_scores_gemma":[0.9868113,0.0009277195,0.003857228,0.001271808,0.005219004,0.00004044316,0.001035363,0.0001708323,0.0006663357],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.9488477,"threshold_uncertainty_score":0.9994702,"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."}}