An Introduction to Chemoinformatics

This, the first text written specifically for this field, aims to provide an introduction to the major techniques of chemoinformatics. 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. The book is aimed at graduate students, final-year undergraduates, and professional scientists. No prior knowledge is assumed other than a familiarity with chemistry and some basic mathematical concepts.

Author: Andrew R. Leach,V. J. Gillet
Publisher: Springer
Published: 05/31/2003
Pages: 255
Binding Type: Hardcover
Weight: 1.15lbs
Size: 9.50h x 6.46w x 0.86d
ISBN: 9781402013478

Review Citation(s):
Choice 06/01/2004 pg. 1910

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