An introduction to chemoinformatics

Resource Information

The work An introduction to chemoinformatics represents a distinct intellectual or artistic creation found in University of Liverpool. This resource is a combination of several types including: Work, Language Material, Books.

Label

An introduction to chemoinformatics

Statement of responsibility

Andrew R. Leach and Valerie J. Gillet

Creator

• Leach, Andrew R
• Leach, Andrew R

Contributor

• Gillet, Valerie J
• Gillet, Valerie J

Subject

• Cheminformatics

Language

eng

Summary

Chemoinformatics draws upon techniques from many disciplines including computer science, mathematics, computational chemistry and data visualisation to tackle these problems. 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

Member of

• Online access with purchase: Springer

Cataloging source

GW5XE

Dewey number

542.8

Index

index present

LC call number

QD39.3.E46

LC item number

L43 2007eb

Literary form

non fiction

Nature of contents

• dictionaries
• bibliography