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Chemometrics in metabonomics
Umeå University, Faculty of Science and Technology, Department of Chemistry. (Computational Life Science Cluster (CLiC))
2007 (English)In: Journal Proteome Research, ISSN 1535-3893, Vol. 6, no 2, 469-79 p.Article in journal (Refereed) Published
Abstract [en]

We provide an overview of how the underlying philosophy of chemometrics is integrated throughout metabonomic studies. Four steps are demonstrated: (1) definition of the aim, (2) selection of objects, (3) sample preparation and characterization, and (4) evaluation of the collected data. This includes the tools applied for linear modeling, for example, Statistical Experimental Design (SED), Principal Component Analysis (PCA), Partial least-squares (PLS), Orthogonal-PLS (OPLS), and dynamic extensions thereof. This is illustrated by examples from the literature.

Place, publisher, year, edition, pages
2007. Vol. 6, no 2, 469-79 p.
National Category
Biological Sciences
URN: urn:nbn:se:umu:diva-12242DOI: doi:10.1021/pr060594qPubMedID: 17269704OAI: diva2:151913
Available from: 2007-04-24 Created: 2007-04-24 Last updated: 2012-09-05

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Trygg, Johan
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