{"id":"W2223322271","doi":"10.1107/s1600536808009951","title":"Methyl 3-oxo-2,3-dihydro-1,2-benzothiazole-2-acetate 1,1-dioxide","year":2008,"lang":"en","type":"article","venue":"Acta Crystallographica Section E Structure Reports Online","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Dihedral angle; Stacking; Benzothiazole; Crystallography; Chemistry; Planar; Centroid; Crystal (programming language); Bioinformatics; Stereochemistry; Molecule; Computer science; Geometry; Mathematics; Organic chemistry; Computer graphics (images); Hydrogen bond; Biology","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":[0.0001884263,0.001003608,0.00103918,0.0004852744,0.0006851191,0.0001046274,0.0006184217,0.0009482688,0.002922524],"category_scores_gemma":[0.0003772982,0.0009501119,0.0007433551,0.00122731,0.0006889952,0.000525508,0.0003159748,0.001852624,6.120813e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002289226,"about_ca_system_score_gemma":0.0001873427,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002461497,"about_ca_topic_score_gemma":0.0002986016,"domain_scores_codex":[0.9943689,0.00006723673,0.001597114,0.001570581,0.001315807,0.001080333],"domain_scores_gemma":[0.9959412,0.0001701264,0.00108868,0.001752337,0.0004199837,0.0006276374],"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":[0.0001505164,0.0001468563,0.005178161,0.0001379554,0.0003397257,0.001029666,0.0001304961,0.000231214,0.9904556,0.00000328486,0.001746819,0.0004496982],"study_design_scores_gemma":[0.001135303,0.00009116896,0.00890412,0.00007365592,0.0002011535,0.01947603,0.0001283573,0.0001505449,0.01724192,0.005611974,0.9454675,0.001518223],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9920666,0.0004905413,0.0001247616,0.0005040704,0.001013763,0.000245536,0.0002548303,0.001153677,0.00414627],"genre_scores_gemma":[0.9930735,0.0002509947,0.002665031,0.000305486,0.001576439,0.00002314353,0.001213512,0.0001929964,0.0006989378],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.9732137,"threshold_uncertainty_score":0.9992949,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01062704592428569,"score_gpt":0.2362247490293446,"score_spread":0.2255977031050589,"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."}}