{"id":"W1838043619","doi":"10.1002/rcm.6997","title":"Improved identification of multiple drugs of abuse and relative metabolites in urine samples using liquid chromatography/triple quadrupole mass spectrometry coupled with a library search","year":2014,"lang":"en","type":"article","venue":"Rapid Communications in Mass Spectrometry","topic":"Forensic Toxicology and Drug Analysis","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"World Anti-Doping Agency; National Science Council","keywords":"Chemistry; Chromatography; Triple quadrupole mass spectrometer; Analyte; Mass spectrometry; Selected reaction monitoring; Liquid chromatography–mass spectrometry; Analytical Chemistry (journal); Tandem mass spectrometry","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":[0.001687376,0.0009462003,0.0009928542,0.001855541,0.0004890257,0.0009351261,0.0008836212,0.0007433667,0.001656404],"category_scores_gemma":[0.001858594,0.0003168735,0.0006531912,0.0009489287,0.0006544748,0.001001538,0.0008459258,0.0006845819,0.001249393],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007279998,"about_ca_system_score_gemma":0.001646447,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001195038,"about_ca_topic_score_gemma":0.002247223,"domain_scores_codex":[0.9984882,0.0002247867,0.00009091562,0.0004639751,0.0006617953,0.00007028504],"domain_scores_gemma":[0.9991066,0.0001762826,0.0002524469,0.00006582143,0.0003183455,0.0000804305],"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":[0.0006858744,0.0003687587,0.0056382,0.0004677788,0.0001772876,0.0001996084,0.0000373961,0.00121332,0.8803071,0.0003279755,0.0005483381,0.1100285],"study_design_scores_gemma":[0.0001690763,0.001747981,0.02066164,0.00005123117,0.0003603706,0.003187718,0.00002317761,0.02875105,0.9407951,0.0004272627,0.003711105,0.0001142678],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"methods","genre_scores_codex":[0.5669271,0.007872879,0.4119839,0.0007543932,0.0001046958,0.0008937426,0.001883814,0.006506163,0.003073341],"genre_scores_gemma":[0.6353822,0.002407708,0.3546823,0.001462185,0.0001299026,0.0005895849,0.002295321,0.0002413264,0.002809508],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.001855541,"threshold_uncertainty_score":0.008923829,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04380802882446967,"score_gpt":0.3528076523742592,"score_spread":0.3089996235497895,"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."}}