{"id":"W2035109506","doi":"10.1107/s1600536812039797","title":"Ethyl 2-(3,4-dimethyl-5,5-dioxo-1<i>H</i>,4<i>H</i>-benzo[<i>e</i>]pyrazolo[4,3-<i>c</i>][1,2]thiazin-1-yl)acetate","year":2012,"lang":"en","type":"article","venue":"Acta Crystallographica Section E Structure Reports Online","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Dihedral angle; Ring (chemistry); Chemistry; Pyrazole; Benzene; Hydrogen bond; Crystallography; Crystal (programming language); Stereochemistry; Bioinformatics; Medicinal chemistry; 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":[0.0008289751,0.001039334,0.001151689,0.0003560371,0.000604961,0.0001418107,0.0004767507,0.001276391,0.00357882],"category_scores_gemma":[0.0006673572,0.0008212269,0.0008236844,0.001128752,0.0004746254,0.0007959437,0.0003020945,0.00178135,5.526783e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001561039,"about_ca_system_score_gemma":0.0001071661,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002524006,"about_ca_topic_score_gemma":0.000259283,"domain_scores_codex":[0.9943375,0.0001972214,0.001481191,0.001395322,0.0009690218,0.001619739],"domain_scores_gemma":[0.9957221,0.0004212849,0.001247319,0.001493493,0.0003287463,0.0007870977],"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":[0.0001210304,0.000659731,0.05707099,0.0001197612,0.0003483673,0.00009668654,0.0001040478,0.00001632684,0.9349347,0.0000120362,0.001090663,0.005425679],"study_design_scores_gemma":[0.000660819,0.0001238073,0.05956016,0.00008813918,0.0003520357,0.002892148,0.0002717972,0.00003642332,0.02414854,0.002022453,0.9082733,0.001570377],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9888546,0.00102429,0.0001225729,0.0007506772,0.00212927,0.0003170334,0.0003313461,0.0009814827,0.005488765],"genre_scores_gemma":[0.9921239,0.0004426615,0.002358197,0.0007139219,0.003022246,0.00004364401,0.0006574462,0.0001350837,0.0005028945],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.9107862,"threshold_uncertainty_score":0.9994239,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01318205358744577,"score_gpt":0.2438028554936899,"score_spread":0.2306208019062441,"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."}}