{"id":"W4408034498","doi":"10.1038/s42255-025-01239-4","title":"Discovery of metabolites prevails amid in-source fragmentation","year":2025,"lang":"en","type":"letter","venue":"Nature Metabolism","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":29,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta; Simon Fraser University","funders":"National Institute of Biomedical Imaging and Bioengineering; National Institute of Diabetes and Digestive and Kidney Diseases; National Institute of Allergy and Infectious Diseases; U.S. Department of Veterans Affairs; Biotechnology and Biological Sciences Research Council; U.S. Department of Health and Human Services","keywords":"Fragmentation (computing); Computational biology; Chemistry; Biology; Ecology","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.005345448,0.0006842464,0.000646239,0.0003990225,0.001436523,0.001929572,0.001185077,0.01224942,0.002081798],"category_scores_gemma":[0.009222868,0.0003231138,0.0006598994,0.0003094029,0.002028984,0.001980933,0.001040272,0.009202055,0.002919141],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001546235,"about_ca_system_score_gemma":0.0008209543,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004375923,"about_ca_topic_score_gemma":0.001033945,"domain_scores_codex":[0.9975687,0.0006351692,0.0001541779,0.0003478437,0.00106265,0.0002315378],"domain_scores_gemma":[0.9895597,0.006918072,0.0007267501,0.0008033121,0.001280884,0.0007113293],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001597963,0.0002497262,0.004332854,0.0004825834,0.0001646979,0.02059723,0.0004070202,0.0003196341,0.04851276,0.02884842,0.7459384,0.1485487],"study_design_scores_gemma":[0.0003049777,0.0007420544,0.004067606,0.000199944,0.00009119503,0.02006589,0.0003457526,0.002345662,0.06673139,0.05734194,0.8476699,0.00009365523],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"commentary","genre_gemma":"empirical","genre_scores_codex":[0.01639076,0.01855324,0.01699679,0.8764929,0.0543379,0.00009805577,0.0001937114,0.0004993083,0.01643731],"genre_scores_gemma":[0.1467947,0.01270717,0.0131012,0.6820632,0.107728,0.0001558179,0.0002063944,0.0002306003,0.03701311],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.01224942,"threshold_uncertainty_score":0.02826977,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004266004052804975,"score_gpt":0.2470457466974755,"score_spread":0.2427797426446706,"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."}}