MetaboHunter : an automatic approach for identification of metabolites from ¹H-NMR spectra of complex mixtures

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DOIResolve DOI: http://doi.org/10.1186/1471-2105-12-400
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TypeArticle
Journal titleBMC Bioinformatics
Volume12
Pages400421; # of pages: 22
AbstractBackground: One-dimensional ¹H-NMR spectroscopy is widely used for high-throughput characterization of metabolites in complex biological mixtures. However, the accurate identification of individual compounds is still a challenging task, particularly in spectral regions with higher peak densities. The need for automatic tools to facilitate and further improve the accuracy of such tasks, while using increasingly larger reference spectral libraries becomes a priority of current metabolomics research.
Publication date
LanguageEnglish
AffiliationNRC Institute for Information Technology; National Research Council Canada
Peer reviewedYes
NPARC number19040609
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Record identifiereba0a43b-2eaa-4d58-b865-51a34b70af94
Record created2011-12-07
Record modified2016-05-09
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