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Briefings in Bioinformatics Advance Access originally published online on May 18, 2006
Briefings in Bioinformatics 2006 7(2):128-139; 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

Special Issue Papers

Metabolomics technology and bioinformatics

Vladimir Shulaev

Vladimir Shulaev, Virginia Bioinformatics Institute, Washington Street, Blacksburg, VA 24061, USA. Tel: 540-231-3489; Fax: 540-231-2606; E-mail: vshulaev{at}vbi.vt.edu

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


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