Met.kopls {Metabonomic} | R Documentation |
An implementation of K-OPLS based on 'kopls' package with e.g. model training, prediction, cross-validation and plot tools.
Met.kopls(datos)
datos |
Spectra data frame |
The application (Metabonomic Analysis / Partial Least Squares / Kernel-based Orthogonal PLS) is performed using the functions from the ''kopls'' package. Firstly, the function perform a K-OPLS cross-validation for a set of 'Y'-orthogonal components. The function returns a number of diagnostic parameters which can be used to determine the optimal number of model components. With the optimal parameters selected , the application performs prediction of no-model samples from the K-OPLS model. The function projects the Y-predictive and Y-orthogonal scores components to predict a value of the response matrix Y.
Jose L. Izquierdo izquierdo@ieb.ucm.es
Rantalainen M, Bylesjo M, Cloarec O, Nicholson JK, Holmes E and Trygg J. *Kernel-based orthogonal projections to latent structures (K-OPLS)*, _J Chemometrics_ 2007; 21:376-385.