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. 2019 Sep 27;9(10):201. doi: 10.3390/metabo9100201

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© 2019 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

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Multivariate statistical modelling of ¹H-Nuclear Magnetic Resonance ¹H-NMR metabolomic data. Plots A–C show group separation achieved by principal component analysis (PCA), orthogonal partial least squares discriminant analysis (OPLS-DA) and partial least squares discriminant analysis (PLS-DA). Red circles (●1) represent patients with high MDS and green circles (●2) represent individuals with low MDS. D: Is the resulting variable importance in project (VIP) plot indicating the 15 most influential metabolites responsible for the observed separation in the PLS-DA model.