The use and misuse of chemometrics for treating classification problems

Defernez, Marianne and Kemsley, E. Katherine ORCID: https://orcid.org/0000-0003-0669-3883 (1997) The use and misuse of chemometrics for treating classification problems. TrAC Trends in Analytical Chemistry, 16 (4). pp. 216-221. ISSN 0165-9936

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Abstract

In this article, we examine the increasing use by analytical chemists of chemometric methods for treating classification problems. The methods considered are principal component analysis (PCA), canonical variates analysis (CVA), discriminant analysis (DA), and discriminant partial least squares (PLS). Overfitting, a potential hazard of multivariate modelling, is illustrated using examples of real and simulated data, and the importance of model validation is discussed.

Item Type:	Article
Faculty \ School:	Faculty of Science > School of Chemistry
UEA Research Groups:	Faculty of Medicine and Health Sciences > Research Centres > Population Health
Depositing User:	LivePure Connector
Date Deposited:	20 Jul 2018 14:30
Last Modified:	12 Jun 2024 15:30
URI:	https://ueaeprints.uea.ac.uk/id/eprint/67717
DOI:	10.1016/S0165-9936(97)00015-0

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