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Clustering/Classification software tools | NMR-based metabolomics data analysis

Cluster analysis represents another unsupervised multivariate technique suitable for the analysis of metabolomics data with self-organizing map (SOM), hierarchical cluster analysis (HCA) and k-means clustering being the most prominent representatives. In general, clustering methods group and visualize samples according to intrinsic similarities in their measurements, irrespective of sample groupings.

Source text:
(Bartel., 2013) Statistical methods for the analysis of high-throughput metabolomics data. Comput Struct Biotechnol J.

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