Computer-aided molecular design books

In Table 11, we provide a compilation of books in the rapidly expanding field of computer-aided molecular design and also books on QSAR. Finally, Table 12 lists books on the narrow, well-defined topic of graph theory in chemistry. 

As always, we try to be heedful of the needs of our readers and authors. Every effort is made to produce volumes that will have sustained usefulness in learning, teaching, and research. We appreciate the fact that the community of computational chemists has found that these volumes fulfill a need. In the most recent data on impact factors from the Institute of Scientific Information (Philadelphia, Pennsylvania), Reviews in Computational Chemistry is ranked fourth among serials (journals and books) in the field of computational chemistry. (In first place is the Journal of Molecular Graphics and Modelling, followed by the Journal of Computational Chemistry and Theoretical Chemistry Accounts. In fifth and sixth places are the Journal of Computer-Aided Molecular Design and the Journal of Chemical Information and Computer Science, respectively.)... 

I trust that this book will provide an up-to-date account of the chemistry of most important antibiotics. It is hoped that the readers will be stimulated to explore further this synthetic field that, even in these times in which so great attention is paid by the medicinal chemists to exciting issues like molecular recognition and computer aided drug design, still proves intellectually fulfilling and is endowed with industrial priority. 

In computer-assisted molecular design (CAMD), computational chemistry is directed toward the discovery of new compounds with specific, desired properties. There have been whole books published on CAMD (see, e.g., refs. 1-4). Nevertheless, many research chemists remain unaware of what has been accomplished to date with CAMD. At scientific meetings, one hears too frequently the misstatement that no commercial compound has yet been designed with the aid of computers. Our goal here is to review briefly some documented successes of CAMD. By highlighting these examples, we hope to stimulate a wider appreciation of the technologies of computational chemistry. 

Kaelble, D. H, Computer-aided design of Polymers and Composites , Dekker, New York, 1985. This book shows how the effects of temperature, stress, strain, time and environment on composite properties can be generated by mathematical simulation from atomic and molecular properties. 

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