{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008198646,0.0002407863,0.0003076316,0.0001232562,0.0001364577,0.0001551861,0.0003854862,0.0001588168,0.004290006],"category_scores_gemma":[0.00009998398,0.0001153007,0.00008818167,0.0001941878,0.0001870502,0.0001539042,0.0001682594,0.000344775,0.001517776],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002107647,"about_ca_system_score_gemma":0.0003090355,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001004396,"about_ca_topic_score_gemma":0.00211667,"domain_scores_codex":[0.9999323,0.00001107611,0.000004058633,0.00001140317,0.00001530741,0.00002590693],"domain_scores_gemma":[0.9999526,0.000006582964,0.00001247702,0.000006837025,0.00000604032,0.00001537866],"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":[0.0007268676,0.00005440175,0.0002439429,0.0002223346,0.000008785231,0.0001758956,0.00002971708,0.0002939983,0.9894083,0.0004636911,0.0005916661,0.007780413],"study_design_scores_gemma":[0.0002738215,0.002424456,0.008354125,0.00003280958,0.00002563335,0.001049284,0.00007588996,0.001336827,0.9365659,0.0001359488,0.04969469,0.00003054278],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9469032,0.01242468,0.009512613,0.0004937894,0.0004232071,0.0001634449,0.001638132,0.0006015672,0.02783935],"genre_scores_gemma":[0.9762797,0.003091224,0.00483818,0.0001542544,0.00005001798,0.00006557068,0.001200496,0.00003203734,0.01428854],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004290006,"threshold_uncertainty_score":0.01435155,"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."}}