Bioinformatics Methods in Clinical Research

Volume 593 of the series Methods in Molecular Biology pp 283-313


Computational Approaches to Metabolomics

  • David S. WishartAffiliated withDepartments of Computing Science and Biological Sciences, University of AlbertaNational Institute for Nanotechnology

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This chapter is intended to familiarize readers with the field of metabolomics and some of the algorithms, data analysis strategies, and computer programs used to analyze or interpret metabolomic data. Specifically, this chapter provides a brief overview of the experimental approaches and applications of metabolomics followed by a description of the spectral and statistical analysis tools for metabolomics. The chapter concludes with a discussion of the resources that can be used to interpret and analyze metabolomic data at a biological or clinical level. Emerging needs, challenges, and recent progress being made in these areas are also discussed.

Key words

Metabolomics bioinformatics cheminformatics data analysis