{"id":"W2054405235","doi":"10.1107/s160053681204603x","title":"3,5-Dibromo-2,2,6,6,7,7-hexamethyloctane-4-one","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":"Chemistry; Crystallography; Planar; Dihedral angle; Crystal (programming language); Crystal structure; Torsion (gastropod); Carbonyl group; Absolute deviation; Stereochemistry; Molecule; Mathematics; Anatomy; Computer science; Organic chemistry; Biology; Computer graphics (images); Hydrogen bond","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":[0.0002614405,0.0007646431,0.0007700719,0.000365508,0.0003535058,0.0001336654,0.000439711,0.0008788331,0.005273078],"category_scores_gemma":[0.0004104945,0.0007397687,0.0004876289,0.001003611,0.0003764276,0.0006979087,0.0002875878,0.00145557,4.453162e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002174413,"about_ca_system_score_gemma":0.00007417316,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001109653,"about_ca_topic_score_gemma":0.0001009502,"domain_scores_codex":[0.9954135,0.0000570011,0.001215138,0.0009589419,0.001108288,0.001247144],"domain_scores_gemma":[0.9964859,0.0001769376,0.0008263559,0.001461353,0.0002874589,0.0007619174],"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":[0.00008662546,0.000310961,0.02086714,0.0001743627,0.0002674287,0.00005522561,0.00008521879,0.00001512497,0.9759559,0.000008804472,0.001007486,0.00116574],"study_design_scores_gemma":[0.0006135255,0.00006350606,0.01768447,0.00007348265,0.0002505061,0.003588711,0.0001503881,0.00002283659,0.006351901,0.005016644,0.9649975,0.001186496],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9907754,0.0006556601,0.00009806227,0.0003597357,0.00137387,0.0002013711,0.0002070034,0.0008631131,0.005465769],"genre_scores_gemma":[0.9907581,0.00007245553,0.003063646,0.0001988793,0.004217876,0.00001827006,0.001203658,0.0001544896,0.0003126659],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.969604,"threshold_uncertainty_score":0.9995053,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01134763256552556,"score_gpt":0.2433224997800514,"score_spread":0.2319748672145258,"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."}}