Computer Aided Molecular Design: Theory and Practice
Luke Achenie · Venkat Venkatasubramanian · Rafiqul Gani
Nov 2002 · Computer Aided Chemical Engineering Book 12 · Elsevier
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About this ebook
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.·This title brings together the theoretical aspects related to Computer Aided Molecular Design, the different techniques that have been developed and the different applications that have been reported. ·Contributing authors are among the leading researchers and users of CAMD·First book available giving a systematic formulation of CAMD problems and solutions
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.
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