{"id":"W2898137153","doi":"10.1002/bmc.4413","title":"Metabolomics‐based parallel discovery of xenobiotics and induced endogenous metabolic dysregulation in clinical toxicology","year":2018,"lang":"en","type":"article","venue":"Biomedical Chromatography","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"University of British Columbia; National Natural Science Foundation of China","keywords":"Xenobiotic; Metabolomics; Endogeny; Chemistry; Computational biology; Pharmacology; Biochemistry; Chromatography; Biology; Enzyme","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0008010406,0.0006806756,0.0005304104,0.001674168,0.0003090403,0.0008721619,0.0004012608,0.0006356231,0.001210982],"category_scores_gemma":[0.0008518493,0.0002858633,0.0004355444,0.0007963413,0.000385514,0.0004462522,0.0009554332,0.0004809975,0.0003723061],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003736045,"about_ca_system_score_gemma":0.0006566422,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007044933,"about_ca_topic_score_gemma":0.001326608,"domain_scores_codex":[0.9993962,0.0001395819,0.00005342596,0.000176732,0.0001882117,0.00004583403],"domain_scores_gemma":[0.9995691,0.0001117975,0.00009403307,0.00006238522,0.0001208435,0.00004180699],"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":[0.001126541,0.0002039204,0.023868,0.0002978679,0.0002073279,0.001329493,0.0001191399,0.001481736,0.9215594,0.0004628275,0.0005106254,0.04883312],"study_design_scores_gemma":[0.0000716033,0.001037031,0.07245169,0.00004895954,0.0002447116,0.004344739,0.0002182467,0.02615702,0.8889617,0.001755002,0.004622746,0.00008662861],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8359998,0.004550929,0.1514867,0.0006812343,0.0001083694,0.00051042,0.002533203,0.001655967,0.002473297],"genre_scores_gemma":[0.8847468,0.001805378,0.1096177,0.000399255,0.00006144648,0.000213839,0.001259673,0.000135721,0.001760154],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001674168,"threshold_uncertainty_score":0.004236341,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02945119421775458,"score_gpt":0.293939882437004,"score_spread":0.2644886882192494,"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."}}