An Introduction to Chemoinformatics

by Andrew R. Leach, V.J. Gillet

This book aims to provide an introduction to the major techniques of chemoinformatics. It is the first text written specifically for this field. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models. The second part describes other important topics including molecular similarity and diversity, the analysis of large data sets, virtual screening, and library design. Simple illustrative examples are used throughout to illustrate key concepts, supplemented with case studies from the literature.

270 pages, Paperback

First published May 1, 2003

Reviews

[Samuel · Rating 5 out of 5]

This book is an absolute pleasure to read. Very to the point and clear writing, covering a perfect balance of general concepts and practical aspects, with lots of references to further writing, all complemented with clear and helpful figures.

The only downside right now is that it is a few years since it was released, so the field has developed a little, but it is still an excellent introduction, giving a good sense of the historical development of the field.

For a more up to date completent, you might want to check out "Introduction to Pharmaceutical Bioinformatics" (http://www.pharmbio.org/pages/literature). A new edition is in the works. Unfortunately it is not available online.