About the Book

Strategy of Drug Design was written to introduce the techniques of applying mathematical models to the design of molecules with desired biological activities. It covers Physical – Organic Chemistry, Statistics or Quantum Chemistry. The book is devoted to two approaches in Quantitative Structure-Activity Relationships (QSAR): the Linear Free Energy Related (LFER) or Extra thermodynamic Models, which deal with the correlation of physicochemical properties of a molecule with its biological activity and the De Novo model, which is a statistical approach, independent of physicochemical properties, for ranking substituent group contributions to biological activity. This book is useful to Organic Chemists, Medicinal Chemists, Pharmacologists, and graduate students.

Contents

I. Introduction, II. Linear Free Energy-Related Models: Theory and Description, III. Linear Free Energy-Related Models: Applications and Parameters, IV. Linear Free Energy-Related Models: Procedure and Examples, V. De Novo Model: Theory and Description, VI. De Novo Model: Procedure and Examples

About the Authors

William P. Purcell did Masters and Ph. D degree in Physical Chemistry from Princeton University, USA. He has had a distinguished career as a Professor of Medicinal Chemistry at The University of Tennessee (Memphis) and currently serves as an adjunct member of the Graduate Faculty, Department of Chemistry, at the University of Memphis, USA. Dr. Purcell is a recognized expert in the field of molecular modeling and is a pioneer in Quantitative Structure-Activity Relationships (QSAR). Dr. Purcell is a co-founder of the quarterly publication - QSAR, including Molecular modeling and Applications of Computer Graphics. He is an inventor of a number of US and foreign drug patents. He is founder and majority shareholder of MDI, serves as its President and Chief Executive Officer. In addition, Dr. Purcell also serves as Chief Operating Officer and Director of Research and Development.