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OMICS: A Journal of Integrative Biology
Discrimination Models Using Variance-Stabilizing Transformation of Metabolomic NMR Data
To cite this article:
Parul V. Purohit, David M. Rocke, Mark R. Viant, David L. Woodruff.
OMICS: A Journal of Integrative Biology.
July 2004,
8(2): 118-130.
doi:10.1089/1536231041388348.
Parul V. Purohit Center for Image Processing and Integrated Computing, University of California, Davis, California. David M. Rocke, Mark R. Viant, David L. Woodruff After the extensive work that is being done in the areas of genomics, proteomics, and metabolomics, the study of metabolites has come of interest in its own right. Metabolites in biological systems give an understanding of the state of the system and provide a powerful tool for the study of disease and other maladies. Several analytical techniques such as mass spectrometry and high-resolution NMR spectroscopy have been used to study metabolites. The data, however, from these techniques remains quite complex. Traditionally, multivariate analyses have been used for such data. These methods however have an underlying assumption that the data is multivariate normal with a constant variance. This is not necessarily the case. It has been shown that a generalized log transformation renders the variance of the data constant effectively making the data more suitable for multivariate analysis. We demonstrate the effectiveness of these transformations on NMR data taken on a set of 18 abalone that were categorized as either being healthy, stunted, or diseased. We show how the transformation makes multivariate classification of the abalone into the healthy, stunted and diseased categories much more effective and gives a tool for identifying potential metabolic biomarkers for disease.  This paper was cited by:Validation of a urine metabolome fingerprint in dog for phenotypic classification Mark R. Viant, Christian Ludwig, Sue Rhodes, Ulrich L. Günther, David Allaway Metabolomics. Dec 2007, Vol. 3, No. 4: 453-463 CrossRef Developmental rates, structural asymmetry, and metabolic fingerprints of steelhead trout (Oncorhynchus mykiss) eggs incubated at two temperatures M. A. Turner, M. R. Viant, S. J. Teh, M. L. Johnson Fish Physiology and Biochemistry. Apr 2007, Vol. 33, No. 1: 59-72 CrossRef Evaluation of metabolite extraction strategies from tissue samples using NMR metabolomics Ching Yu Lin, Huifeng Wu, Ronald S. Tjeerdema, Mark R. Viant Metabolomics. Apr 2007, Vol. 3, No. 1: 55-67 CrossRef Mass spectrometry-based metabolomics Katja Dettmer, Pavel A. Aronov, Bruce D. Hammock Mass Spectrometry Reviews. Feb 2007, Vol. 26, No. 1: 51-78 CrossRef Liver Tumors in Wild Flatfish: A Histopathological, Proteomic, and Metabolomic Study G.D. Stentiford, M.R. Viant, D.G. Ward, P.J. Johnson, A. Martin, Wei Wenbin, H.J. Cooper, B.P. Lyons, S.W. Feist OMICS: A Journal of Integrative Biology. Sep 2005, Vol. 9, No. 3: 281-299 Abstract | Full Text PDF | Reprints & PermissionsNMR-derived developmental metabolic trajectories: an approach for visualizing the toxic actions of trichloroethylene during embryogenesis Mark R. Viant, Jacob G. Bundy, Christopher A. Pincetich, Jeffrey S. Ropp, Ronald S. Tjeerdema Metabolomics. May 2005, Vol. 1, No. 2: 149-158 CrossRef
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