ENGLISH

An Introduction to Chemoinformatics

By Andrew R. Leach , V.J. Gillet

Book information

Publisher
Springer
Year
2007
ISBN
1402062907, 9781402062902
Open Library ID
OL9512546M
Language
english
Format
PDF
Filesize
5 MB (4773317 bytes)
Pages
260\260
Scanned
yes
Time added
2011-08-31 04:54:40

Description

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.

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