{"id":"W4414340743","doi":"10.1107/s2056989025008084","title":"Crystal structure and Hirshfeld surface analysis of an etoxazole metabolite designated R4","year":2025,"lang":"en","type":"article","venue":"Acta Crystallographica Section E Crystallographic Communications","topic":"Analytical Chemistry and Chromatography","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"Horizon College and Seminary","funders":"","keywords":"Dihedral angle; Crystal structure; Hydrogen bond; Metabolite; Crystal (programming language); Surface (topology)","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":[0.0001115908,0.0003682323,0.0002640069,0.0002605086,0.0002464426,0.0002666283,0.0006382981,0.0004407621,0.001709327],"category_scores_gemma":[0.0002211107,0.0001065759,0.000174678,0.0004433712,0.000208502,0.0001435465,0.0001139437,0.0004535972,0.0003258543],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005289022,"about_ca_system_score_gemma":0.0003567905,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00725731,"about_ca_topic_score_gemma":0.003629873,"domain_scores_codex":[0.9998745,0.00002012108,0.000004561718,0.00001979252,0.00006297017,0.00001815057],"domain_scores_gemma":[0.9999015,0.00002222441,0.00003037232,0.000004349022,0.00002444198,0.00001702149],"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":[0.001248296,0.0003196562,0.005811171,0.0001967627,0.00007817742,0.001993185,0.0002199566,0.003255601,0.9642832,0.001324817,0.003907766,0.01736141],"study_design_scores_gemma":[0.001884972,0.003799513,0.1318512,0.00007212086,0.0003004013,0.007604423,0.00134304,0.1413652,0.6490449,0.001657569,0.06093945,0.0001371776],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.992477,0.0008072797,0.0009774478,0.000292407,0.00002498924,0.00002902672,0.00124526,0.0001196375,0.004027021],"genre_scores_gemma":[0.9791737,0.0009428952,0.00417433,0.0001364633,0.00003202096,0.00003586964,0.008692358,0.00005021909,0.00676234],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00725731,"threshold_uncertainty_score":0.01443017,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01152453476149882,"score_gpt":0.2575920619353861,"score_spread":0.2460675271738873,"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."}}