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Briefings in Bioinformatics Advance Access published online on May 18, 2006
Briefings in Bioinformatics, doi:10.1093/bib/bbl012
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© The Author 2006. Published by Oxford University Press. For Permissions, please email: journals.permissions@oxfordjournals.org

Original Papers

Metabolomics technology and bioinformatics

Vladimir Shulaev *

* To whom correspondence should be addressed.
Vladimir Shulaev, E-mail: vshulaev{at}vbi.vt.edu


  Abstract

Metabolomics is the global analysis of all or a large number of cellular metabolites. Like other functional genomics research, metabolomics generates large amounts of data. Handling, processing and analysis of this data is a clear challenge and requires specialized mathematical, statistical and bioinformatics tools. Metabolomics needs for bioinformatics span through data and information management, raw analytical data processing, metabolomics standards and ontology, statistical analysis and data mining, data integration and mathematical modelling of metabolic networks within a framework of systems biology. The major approaches in metabolomics, along with the modern analytical tools used for data generation, are reviewed in the context of these specific bioinformatics needs.

Keywords: metabolomics; metabolite profiling; mass spectrometry; GC-MS; LC-MS; CE-MS; bioinformatics.

Vladimir Shulaev is an Associate Professor at the Virginia Bioinformatics Institute at the Virginia Polytechnic Institute and State University. He heads the Biochemical Profiling Group, which focuses on developing methods for high throughput metabolite profiling and application of metabolomics to systems biology and to study stress response in microorganisms, plants and animals.


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