{"id":"W4284704507","doi":"10.1038/s41587-022-01368-1","title":"Enhancing untargeted metabolomics using metadata-based source annotation","year":2022,"lang":"en","type":"article","venue":"Nature Biotechnology","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":77,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Eunice Kennedy Shriver National Institute of Child Health and Human Development; National Institute on Minority Health and Health Disparities; National Institute of Child Health and Human Development; National Institute of Arthritis and Musculoskeletal and Skin Diseases; National Institute of Diabetes and Digestive and Kidney Diseases; National Center for Complementary and Integrative Health; National Institute on Aging; Multidisciplinary University Research Initiative; University of California, San Diego; National Institutes of Health; IXICO; Medela; National Institute of General Medical Sciences; H. Lundbeck A/S; National Institute of Food and Agriculture; Swedish Orphan Biovitrum; Genentech; Vlaamse regering; Servier; Georgia Clinical and Translational Science Alliance; Eisai; Conselho Nacional de Desenvolvimento Científico e Tecnológico; Canadian Institutes of Health Research; Fonds Wetenschappelijk Onderzoek; Fundação de Amparo à Pesquisa do Estado de São Paulo; U.S. Department of Health and Human Services; Deutscher Akademischer Austauschdienst; Danone Nutricia Research; National Institute of Standards and Technology; Northern California Institute for Research and Education; Danone; University of Southern California; Pfizer; BioClinica; Biogen; Office of Naval Research; U.S. Department of Agriculture; National Heart, Lung, and Blood Institute; Novartis Pharmaceuticals Corporation; Institute for the Advancement of Food and Nutrition Sciences; Eli Lilly and Company; Bristol-Myers Squibb; National Center for Advancing Translational Sciences; Meso Scale Diagnostics; Alzheimer's Association; Foundation for the National Institutes of Health","keywords":"Annotation; Metabolomics; Metadata; Computational biology; Computer science; Information retrieval; World Wide Web; Biology; Bioinformatics; Artificial intelligence","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":[0.005416165,0.002281755,0.00133386,0.006115668,0.0009211501,0.003440451,0.001807182,0.001052267,0.003044028],"category_scores_gemma":[0.01301887,0.0008191601,0.001790557,0.004534254,0.0004909587,0.005099436,0.006214683,0.001843756,0.003245494],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008511803,"about_ca_system_score_gemma":0.002498264,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00382961,"about_ca_topic_score_gemma":0.007298043,"domain_scores_codex":[0.9967716,0.0005016053,0.0003804511,0.0006714762,0.001466934,0.0002078584],"domain_scores_gemma":[0.9825377,0.004763398,0.001188809,0.006055522,0.005000763,0.0004537963],"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":[0.002368697,0.0009527937,0.02127576,0.002968185,0.0008757671,0.001959622,0.0009463829,0.01546186,0.5971721,0.008625853,0.01695041,0.3304425],"study_design_scores_gemma":[0.0001968649,0.0003674054,0.01419237,0.0004963817,0.000811308,0.00151305,0.0008526201,0.1784198,0.6718522,0.03366883,0.09716523,0.0004638809],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.0642553,0.001815943,0.850879,0.000950521,0.0006388728,0.0003437358,0.02385685,0.04972864,0.007531226],"genre_scores_gemma":[0.2024343,0.001571784,0.7168285,0.0006424055,0.0002022967,0.0003198602,0.06631623,0.007547239,0.004137392],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.006115668,"threshold_uncertainty_score":0.02864379,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007024791862386576,"score_gpt":0.2474700927238846,"score_spread":0.2404453008614981,"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."}}