{"id":"W1559417717","doi":"10.1107/s1600536812009014","title":"2-[2-(3-Chlorophenyl)-2-oxoethyl]-4-hydroxy-3-(3-methoxybenzoyl)-2<i>H</i>-1λ<sup>6</sup>,2-benzothiazine-1,1-dione","year":2012,"lang":"en","type":"article","venue":"Acta Crystallographica Section E Structure Reports Online","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Dihedral angle; Benzothiazine; Ring (chemistry); Benzene; Chemistry; Hydrogen bond; Crystallography; Crystal (programming language); Unit (ring theory); Crystal structure; Aromaticity; Bioinformatics; Medicinal chemistry; Molecule; Mathematics","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","research_integrity","insufficient_payload"],"consensus_categories":["metaepi_narrow","research_integrity"],"category_scores_codex":[0.0006004199,0.001555387,0.001458974,0.0006980231,0.0007423647,0.0002711896,0.0008672575,0.001652481,0.005758252],"category_scores_gemma":[0.0008001858,0.001469327,0.001022792,0.001822874,0.0006728615,0.00122988,0.0005693432,0.002811552,2.362347e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004251103,"about_ca_system_score_gemma":0.000173867,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002663065,"about_ca_topic_score_gemma":0.0001156423,"domain_scores_codex":[0.9917021,0.0001540709,0.002264924,0.001818391,0.001896302,0.002164248],"domain_scores_gemma":[0.993776,0.0003786125,0.001424267,0.00250693,0.0005709979,0.001343222],"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":[0.0002114537,0.0004464569,0.01432083,0.000310676,0.0005090346,0.0001737729,0.0003681776,0.0005297685,0.9787552,0.00001730616,0.003057936,0.001299359],"study_design_scores_gemma":[0.001355144,0.0001129044,0.005984222,0.00013835,0.0004612612,0.008027133,0.0004820611,0.0004369716,0.005307473,0.005719534,0.969779,0.002195962],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.988353,0.001444504,0.0002753371,0.00066711,0.001593566,0.0004293385,0.0004759639,0.001400577,0.005360568],"genre_scores_gemma":[0.9851823,0.0001637216,0.004842013,0.0005275827,0.005966324,0.00004917026,0.002333838,0.0003356001,0.0005994708],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.9734477,"threshold_uncertainty_score":0.9997194,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008920501297243219,"score_gpt":0.243878258770964,"score_spread":0.2349577574737208,"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."}}