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Using chemometrics for navigating in the large data sets of genomics, proteomics, and metabonomics (gpm)
Umeå University, Faculty of Science and Technology, Department of Chemistry.
Umeå University, Faculty of Science and Technology, Department of Chemistry.
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2004 (English)In: Analytical and Bioanalytical Chemistry, ISSN 1618-2642 (Print) 1618-2650 (Online), Vol. 380, no 3, 419-29 p.Article in journal (Refereed) Published
Abstract [en]

This article describes the applicability of multivariate projection techniques, such as principal-component analysis (PCA) and partial least-squares (PLS) projections to latent structures, to the large-volume high-density data structures obtained within genomics, proteomics, and metabonomics. PCA and PLS, and their extensions, derive their usefulness from their ability to analyze data with many, noisy, collinear, and even incomplete variables in both X and Y. Three examples are used as illustrations: the first example is a genomics data set and involves modeling of microarray data of cell cycle-regulated genes in the microorganism Saccharomyces cerevisiae. The second example contains NMR-metabonomics data, measured on urine samples of male rats treated with either of the drugs chloroquine or amiodarone. The third and last data set describes sequence-function classification studies in a set of G-protein-coupled receptors using hierarchical PCA.

Place, publisher, year, edition, pages
2004. Vol. 380, no 3, 419-29 p.
Keyword [en]
PCA, PLS, Hierarchical modeling, Multivariate analysis, Omics data analysis
National Category
Biological Sciences
URN: urn:nbn:se:umu:diva-14444DOI: 10.1007/s00216-004-2783-yOAI: diva2:154115
Available from: 2007-06-04 Created: 2007-06-04 Last updated: 2013-02-28

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Antti, HenrikTrygg, JohanWold, Svante
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