Partial Least Squares with Structured Output for Modelling the Metabolomics Data Obtained from Complex Experimental Designs: A Study into the Y-Block Coding

Partial least squares (PLS) is one of the most commonly used supervised modelling approaches for analysing multivariate metabolomics data. PLS is typically employed as either a regression model (PLS-R) or a classification model (PLS-DA). However, in metabolomics studies it is common to investigate m...

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Bibliographic Details

Published in:	Metabolites
Main Authors:	Yun Xu, Howbeer Muhamadali, Ali Sayqal, Neil Dixon, Royston Goodacre
Format:	Article
Language:	English
Published:	MDPI AG 2016-10-01
Subjects:	partial least squares structural modelling experimental design metabolomics Y coding
Online Access:	http://www.mdpi.com/2218-1989/6/4/38