Chronicles recent successes in the application of
computer-aided molecular design to the development of new agrochemicals, materials, and pharmaceuticals. Provides an overview of many state-of-the-art modeling techniques, including CoMFA, molecular dynamics, de novo ligand design, QSAR, molecular orbital methods, and
genetic algorithms. Includes computational studies of pharmacokinetic properties such as transport and metabolism. Describes modeling of
interfacial phenomena, including organic and inorganic surfaces.
