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J. Chem. In$ Comput. Sci. 1995, 35, 1082
BOOK REVIEWS Computer-Aided Molecular Design. Applications in Agrochemicals, Materials, and Pharmaceuticals. Edited by Charles H. Reynolds, M. Katharine Holloway, and Harold K. Cox. ACS Symposium Series 589. American Chemical Society. Washington, D.C. x 428 pp. 1995. $589. Hard-bound. ISBN 0-8412-3160-5. ISSN 0097-6156.
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The ACS Symposium Series was first published in 1974 to provide a mechanism for publishing symposia quickly in book form. These books represent “snapshots in time” of the current research being done on a topic, plus some review materials on the topic. Computer-aided molecular design (CAMD) has become an important tool in many acadamic and industrial labs. Modeling is playing an important role in product development. The symposium was organized to provide insight into the fields of application of modeling. The vehicle for achieving this goal is to highlight case studies that illustrate application of modeling to a variety of chemical problems. The book is divided into three general sections: Pharmaceuticals, Agrochemicals, and Materials. Also, some chapters deal with topics
that are relevant across sections. Despite the diversity represented both in terms of applications and computational methods, a few general approaches can be discerned: computation as an analytical tool, modeling-based design, computer simulation, and generation of hypotheses. There are 28 chapters in the book, with 9 chapters under “Pharmaceuticals”, 11 under “Agrochemicals”, and 7 under “Materials”. The introductory chapter “Current Approaches in Computer-Aided Molecular Design” is an overview of the most common techniques and their applications. Each chapter has a well-compiled bibliography. The book has been assembled with two audiences in mind: the computational chemist and the experimental chemist, each approaching CAMD from different perspectives, but sharing a common desire to solve important practical problems in the most efficient manner.
Venkat K. Raman Chemical Abstracts Service CI9503 17W
