Computer Aided Molecular Design: Theory and Practice

by Luke Achenie, Venkat Venkatasubramanian, Rafiqul Gani

Overview

CAMD or Computer Aided Molecular Design refers to the design of molecules with desirable properties. That is, through CAMD, one determines molecules that match a specified set of (target) properties. CAMD as a technique has a very large potential as in principle, all kinds of chemical, bio-chemical and material products can be designed through this technique.

This book mainly deals with macroscopic properties and therefore does not cover molecular design of large, complex chemicals such as drugs. While books have been written on computer aided molecular design relating to drugs and large complex chemicals, a book on systematic formulation of CAMD problems and solutions, with emphasis on theory and practice, which helps one to learn, understand and apply the technique is currently unavailable.

Product Details

ISBN-13:	9780444512833
Publisher:	Elsevier Science
Publication date:	11/20/2002
Series:	Computer Aided Chemical Engineering , #12
Pages:	404
Product dimensions:	6.50(w) x 9.45(h) x (d)

About the Author

Rafiqul Gani is CEO of PSE for SPEED Company and a Distinguished Adjunct Professor at Hong Kong University of Science and Technology at Guangzhou (China), an Honorary Professor at East China University of Science and Technology at Shanghai (China) and Distinguished Research Professor at Szhechnyi Istvan University at Gyor (Hungary). He obtained his B.Sc. (Chem. Eng.) from Bangladesh University of Science and Technology and M.Sc., DIC. and Ph.D. from Imperial College London (UK). His research interests cover systems engineering approach to solve problems related to the energy-water-environment-food-health nexus; development of computer-aided techniques; sustainable systems and many more.

Editorial Reviews

"This book provides an informative and insightful account of this emerging area.

The book provides a comprehensive overview of the techniques and applications of CAMD. It fulfills the goal set out by the editors as an excellent starting point for engineers and researchers interested in the applications and further development of this important emerging area." —K.M. Ng, SEPARATION AND PURIFICATION TECHNOLOGY, Volume 35 Issue 2, 2004

From the Publisher