Staff Publications

Staff Publications

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    'Staff publications' is the digital repository of Wageningen University & Research

    'Staff publications' contains references to publications authored by Wageningen University staff from 1976 onward.

    Publications authored by the staff of the Research Institutes are available from 1995 onwards.

    Full text documents are added when available. The database is updated daily and currently holds about 240,000 items, of which 72,000 in open access.

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Record number 427485
Title Genetic algorithm based two-mode clustering of metabolomics data
Author(s) Hageman, J.A.; Berg, R.A. van den; Westerhuis, J.A.; Werf, M.J. van der; Smilde, A.K.
Source Metabolomics 4 (2008)2. - ISSN 1573-3882 - p. 141 - 149.
DOI https://doi.org/10.1007/s11306-008-0105-7
Department(s) Biometris (WU MAT)
PE&RC
Publication type Refereed Article in a scientific journal
Publication year 2008
Keyword(s) discriminant-analysis - mass-spectrometry - degradation - number
Abstract Metabolomics and other omics tools are generally characterized by large data sets with many variables obtained under different environmental conditions. Clustering methods and more specifically two-mode clustering methods are excellent tools for analyzing this type of data. Two-mode clustering methods allow for analysis of the behavior of subsets of metabolites under different experimental conditions. In addition, the results are easily visualized. In this paper we introduce a two-mode clustering method based on a genetic algorithm that uses a criterion that searches for homogeneous clusters. Furthermore we introduce a cluster stability criterion to validate the clusters and we provide an extended knee plot to select the optimal number of clusters in both experimental and metabolite modes. The genetic algorithm-based two-mode clustering gave biological relevant results when it was applied to two real life metabolomics data sets. It was, for instance, able to identify a catabolic pathway for growth on several of the carbon sources.
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