ArticleComputational and structural biotechnology journal2015
A new paradigm for known metabolite identification in metabonomics/metabolomics: metabolite identification efficiency.
Article in Computational and structural biotechnology journal, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.
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Who cites it
21 citing papers in PubMed.
- Untargeted Metabolomics and Proteomics-Based Research of the Long-Term Exercise on Human Body.Applied biochemistry and biotechnology · 2025Article
- Urinary biomarkers for hepatocellular carcinoma: current knowledge for clinicians.Cancer cell international · 2023Review
- Problems, principles and progress in computational annotation of NMR metabolomics data.Metabolomics : Official journal of the Metabolomic Society · 2022Review
- Treatment of wild-type mice with 2,3-butanediol, a urinary biomarker ofFrontiers in physiology · 2022Article
- Metabonomics study of the effects of single copy mutant KRAS in the presence or absence of WT allele using human HCT116 isogenic cell lines.Metabolomics : Official journal of the Metabolomic Society · 2021Article
- The Zebra Mussel (Metabolites · 2020Article
- Metabolic characterization of colorectal cancer cells harbouring different KRAS mutations in codon 12, 13, 61 and 146 using human SW48 isogenic cell lines.Metabolomics : Official journal of the Metabolomic Society · 2020Article
- Urine metabolomic responses to aerobic and resistance training in rats under chronic unpredictable mild stress.PloS one · 2020Article
- Optimizing 1DMetabolomics : Official journal of the Metabolomic Society · 2019Review
- Metabolomics study of the therapeutic mechanism of a Chinese herbal formula on collagen-induced arthritis mice.RSC advances · 2019Article
- RANCM: a new ranking scheme for assigning confidence levels to metabolite assignments in NMR-based metabolomics studies.Metabolomics : Official journal of the Metabolomic Society · 2019Article
- A Bioinformatics Guide to Plant Microbiome Analysis.Frontiers in plant science · 2019Review
- The metabolomic quest for a biomarker in chronic kidney disease.Clinical kidney journal · 2018Article
- Metabolic Biomarkers of Ageing in C57BL/6J Wild-Type and Flavin-Containing Monooxygenase 5 (FMO5)-Knockout Mice.Frontiers in molecular biosciences · 2018Article
- Metabomatching: Using genetic association to identify metabolites in proton NMR spectroscopy.PLoS computational biology · 2017Article
- A decade after the metabolomics standards initiative it's time for a revision.Scientific data · 2017Article
- The future of NMR-based metabolomics.Current opinion in biotechnology · 2017Review
- The utility of biomarkers in hepatocellular carcinoma: review of urine-basedInternational journal of general medicine · 2017Review
- Navigating freely-available software tools for metabolomics analysis.Metabolomics : Official journal of the Metabolomic Society · 2017Review
- Diagnostic Applications of Nuclear Magnetic Resonance-Based Urinary Metabolomics.Magnetic resonance insights · 2017Review
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Abstract
A new paradigm is proposed for assessing confidence in the identification of known metabolites in metabonomics studies using NMR spectroscopy approaches. This new paradigm is based upon the analysis of the amount of metabolite identification information retrieved from NMR spectra relative to the molecular size of the metabolite. Several new indices are proposed including: metabolite identification efficiency (MIE) and metabolite identification carbon efficiency (MICE), both of which can be easily calculated. These indices, together with some guidelines, can be used to provide a better indication of known metabolite identification confidence in metabonomics studies than existing methods. Since known metabolite identification in untargeted metabonomics studies is one of the key bottlenecks facing the science currently, it is hoped that these concepts based on molecular spectroscopic informatics, will find utility in the field.
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