libPLS: An Integrated Library for Partial Least Squares Regression and Discriminant Analysis

Partial least squares (PLS) have gained wide applications especially in chemometrics, metabolomics/metabonomics as well as bioinformatics. To our knowledge, an integrated PLS library that include not only basic PLS modeling algorithms but also advanced and/or recently developed methods on model assessment, outlier detection and variable selection is in lack. Here we present libPLS which provides an integrated platform for developing PLS regression and/or discriminant analysis (PLS-DA) models. This library is written in MATLAB and freely available at www.libpls.net.