Chemoinformatics

Authored by: Peter Willett

Encyclopedia of Library and Information Science, Fourth Edition

Print publication date:  November  2017
Online publication date:  November  2017

Print ISBN: 9781466552593
eBook ISBN: 9781315116143
Adobe ISBN:

10.1081/E-ELIS4-120043664

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Abstract

The entry summarizes the principal tools in modern chemoinformatics systems, principally in the pharmaceutical industry. These tools enable molecules to be selected for biological testing as potential drugs, and include methods for searching databases of two-dimensional and three-dimensional chemical structures, and for predicting the properties of molecules from their structures.

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