Emerging bioinformatics for the metabolome
Computational biochemist who leads a research group on biochemical networks modelling in the Virginia Bioinformatics Institute. He wrote the simulation software Gepasi while at the University of Wales Aberystwyth. Current research is shared between biochemical simulation and metabolomics data management and analysis.
Pedro Mendes, Virginia Bioinformatics Institute, Virginia Polytechnic Institute State University (0477), 1880 Pratt Drive, Blacksburg, VA 24061, USA Fax: +1 540 231 2606 E-mail: mendes{at}vt.edu
Metabolic profiling applied to functional genomics (metabolomics) is in an early stage of development. Here, the technologies used for metabolite profiling are briefly covered, illustrated by a few pioneering studies. Issues related to bioinformatics, namely data analysis, visualisation and archival, are the main focus of this review. Arguably there is already a need for databases containing metabolite profiles specific for a single organism, and a generic repository containing all metabolite profiling results, regardless of species. Data analyses and visualisations that combine the biological context with chemistry details are suggested as being the most promising.
Keywords: metabolome, metabolite profiling, multivariate statistics, biochemical databases
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