Chapter 6 - Support vector machine in drug design

Abstract

“Support vector machine” (SVM) is a popular machine learning algorithm that is used for classification problems. This method relies on the creation of decision boundaries in order to categorize data. SVM has found widespread and diverse applications in drug design and discovery, such as the optimization of chemical structure to enhance efficacy, drug safety, target discovery, protein categorization, and even for COVID-19-related applications. The main objective of this chapter is to present very recent applications of SVM in drug design, by showcasing novel and innovative uses of SVM which clearly demonstrate its value in drug design and medicinal chemistry research.