Chapter 2. Modern Classification Methods for Drug Discovery

Kjell Johnson^[]

^[] Kjell Johnson is Associate Director, Nonclinical Statistics, Pfizer, USA.

William Rayens^[]

^[] William Rayens is Professor, Department of Statistics, University of Kentucky, USA.

This chapter focuses on two modern methods for classification: boosting and partial least squares for discrimination. For each of these methods, we provide detailed background information about their theory as well as instruction and guidance on their implementation in SAS. Finally, we apply these methods to a common drug discovery-type data set and explore the performance of the two methods.