{"id":"W2113122443","doi":"10.1002/jms.3375","title":"Structural elucidation of new urinary tamoxifen metabolites by liquid chromatography quadrupole time‐of‐flight mass spectrometry","year":2014,"lang":"en","type":"article","venue":"Journal of Mass Spectrometry","topic":"Pharmacogenetics and Drug Metabolism","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"World Anti-Doping Agency","keywords":"Chemistry; Chromatography; Mass spectrometry; Urine; Hydroxylation; Metabolomics; Metabolite; Tamoxifen; Fragmentation (computing); Breast cancer; Cancer; Biochemistry; Internal medicine; 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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.001862993,0.0004763541,0.001293958,0.001446597,0.0001302283,0.00003119485,0.0009029303,0.0003911403,0.003978308],"category_scores_gemma":[0.0002238109,0.0004234173,0.0006746096,0.001446007,0.0002652223,0.0003488027,0.000102646,0.001144038,0.00004197901],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000746164,"about_ca_system_score_gemma":0.0002072627,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000124512,"about_ca_topic_score_gemma":3.276711e-7,"domain_scores_codex":[0.9958068,0.0007191122,0.001638958,0.0003597344,0.0007892614,0.000686118],"domain_scores_gemma":[0.996156,0.0004830935,0.00202011,0.0003812553,0.0003496966,0.0006097815],"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":[0.001044513,0.0003433361,0.005075266,0.0001076977,0.0009776136,0.0000192011,0.0002390572,0.0001198018,0.9815261,0.0008715888,0.008683582,0.0009922743],"study_design_scores_gemma":[0.003242273,0.001442007,0.0074131,0.00003551634,0.0008494006,0.0001624561,0.00007023141,0.0005781186,0.9492218,0.004030141,0.03254675,0.0004082209],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9733137,0.01682354,0.003313006,0.0005883624,0.001594182,0.0002308429,0.0001266025,0.00003342134,0.00397634],"genre_scores_gemma":[0.9819311,0.002020604,0.01376137,0.0003165383,0.001391112,0.000002493249,0.00002695788,0.00006197265,0.0004877896],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03230429,"threshold_uncertainty_score":0.9998218,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02702595252843914,"score_gpt":0.3442012552898679,"score_spread":0.3171753027614288,"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."}}