Chemometrics and Predictive Modelling

Abstract

The focus of this chapter is Chemometrics and Predictive Modelling. Chemometrics is a multivariate statistical methodology that has a parallel and independent path of development that grew out of the need to statistically analyse chemical measurements with moderate to large numbers of variables, especially in cases when there are more variables than samples (or objects). In recent years, more and more of the Chemometrics methods have been fused into the mainstream of multivariate and high dimensional statistics. In this chapter, we explore the methodological foundations of Chemometrics and supplement it with a motivating example for the reader to appreciate the methodology. We also provide a comprehensive reference list for the readers who may want to read more about Chemometric methods.