{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001166254,0.0002439763,0.0003146965,0.0001771217,0.0001776621,0.0001376787,0.0003903554,0.000185369,0.006208531],"category_scores_gemma":[0.00009472221,0.0001494154,0.0000944311,0.0002464649,0.0001636573,0.0001577973,0.000162693,0.0002883924,0.001759848],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002224458,"about_ca_system_score_gemma":0.0004962864,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001616462,"about_ca_topic_score_gemma":0.003275681,"domain_scores_codex":[0.9999157,0.000009504221,0.000003988657,0.00001551712,0.00001865068,0.00003677389],"domain_scores_gemma":[0.9999698,0.000004657656,0.000007154353,0.000005183261,0.000004063239,0.00000908529],"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":[0.001563168,0.000131361,0.0003988889,0.0005442071,0.00002521904,0.000327509,0.00007099921,0.0009418806,0.9776322,0.0008451542,0.001750552,0.01576886],"study_design_scores_gemma":[0.0008311623,0.003344069,0.005693082,0.00003938161,0.00004355033,0.000583288,0.00008919642,0.002322153,0.925751,0.0001715871,0.06109369,0.0000378912],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9457003,0.007880722,0.008493735,0.0005936227,0.0007485368,0.0002070743,0.003583392,0.0006246709,0.03216795],"genre_scores_gemma":[0.967019,0.004917809,0.004611033,0.000185112,0.00006225135,0.00008621768,0.001734738,0.00003674778,0.02134707],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006208531,"threshold_uncertainty_score":0.02076966,"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."}}