PLS/OPLS models in metabolomics: the impact of permutation of dataset rows on the K-fold cross-validation quality parameters

N. Triba, Mohamed; Le Moyec, Laurence; Amathieu, Roland; Goossens, Corentine; Bouchemal, Nadia; Nahon, Pierre; N. Rutledge, Douglas; Savarin, Philippe

doi:10.1039/c4mb00414k

Public

PLS/OPLS models in metabolomics: the impact of permutation of dataset rows on the K-fold cross-validation quality parameters

Published in Molecular BioSystems • Oct 23, 2014

Authors:

Mohamed N. Triba

Laurence Le Moyec

Roland Amathieu

Abstract

Among all the software packages available for discriminant analyses based on projection to latent structures (PLS-DA) or orthogonal projection to latent structures (OPLS-DA), SIMCA (Umetrics, Umeå Sweden) is the more widely used in the metabolomics field. SIMCA proposes many parameters or tests to a...

Subject

OPLS

Fold (higher-order function)

Row

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