This book explores the application of chemometric methods to the design of molecules. It provides an overview of quantitative structure-activity relationship (QSAR) and quantitative structure-property relationship (QSPR) studies, detailing various statistical and computational techniques used to build predictive models. The text aims to equip researchers with the tools to understand and manipulate molecular structures for desired properties, focusing on drug discovery and development.

The book is recognized as a foundational text in the application of chemometrics to molecular design, particularly for researchers in medicinal chemistry and drug discovery. It is valued for its comprehensive coverage of statistical methods and their practical implementation in predicting molecular properties and activities. The text serves as a valuable resource for understanding the principles and techniques that underpin modern computational chemistry approaches.