{"id":"W2596719579","doi":"10.1021/acs.analchem.6b03737","title":"Development of Chemical Isotope Labeling LC-MS for Milk Metabolomics: Comprehensive and Quantitative Profiling of the Amine/Phenol Submetabolome","year":2017,"lang":"en","type":"article","venue":"Analytical Chemistry","topic":"Probiotics and Fermented Foods","field":"Agricultural and Biological Sciences","cited_by":51,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; Alberta Innovates - Health Solutions; Alberta Innovates - Technology Futures; Genome Canada","keywords":"Chemistry; Metabolome; Metabolomics; Chromatography; Mass spectrometry; Liquid chromatography–mass spectrometry","routes":{"ca_aff":true,"ca_fund":true,"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":[],"consensus_categories":[],"category_scores_codex":[0.0001408412,0.0001221168,0.0003018519,0.000003286478,0.0001733789,0.00002745146,0.0003545659,0.0001019687,0.00001540361],"category_scores_gemma":[0.0002252149,0.00004761797,0.0001025085,0.00006007241,0.0002942326,0.00003852198,0.0002239821,0.0001046232,4.126159e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000009836136,"about_ca_system_score_gemma":0.00001891949,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001062555,"about_ca_topic_score_gemma":0.00000327333,"domain_scores_codex":[0.999126,0.000008811558,0.000319217,0.0002264534,0.0001303876,0.0001891448],"domain_scores_gemma":[0.999287,0.000134898,0.0002361672,0.0001139904,0.0001664106,0.00006150392],"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":[0.00004205172,0.00005816095,0.001793174,0.00007435786,0.00007429328,1.577153e-7,0.00004885031,6.190784e-7,0.9955001,0.000765978,0.000007141895,0.001635052],"study_design_scores_gemma":[0.0002354592,0.00002350651,0.007310525,0.00004058449,0.00006367713,0.00000106393,0.0002789904,0.001033199,0.9899301,0.0003403785,0.0006257776,0.0001167342],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9988622,0.0002667129,0.00002276607,0.0002461516,0.00002408899,0.0001735057,0.00006992356,0.000005792622,0.0003288572],"genre_scores_gemma":[0.9931569,0.0000174392,0.006674127,0.00002633082,0.00003802805,0.000008679001,0.00002104138,0.00000128664,0.00005619015],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006651361,"threshold_uncertainty_score":0.1941804,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.05008910584818951,"score_gpt":0.2780820105746594,"score_spread":0.2279929047264699,"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."}}