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Chapter 2

Approaches for Grouping Chemicals into Categories

This chapter outlines the various methods by which chemical similarity can be defined to allow for chemical category formation. The focus is on three methods: simple analogues, definition of the chemistry associated with molecular initiating events and chemoinformatics. An outline of how each method is used in practice and how they have been developed into in silico tools is presented.

Publication details

Print publication date
04 Sep 2013
Copyright year
2013
Print ISBN
978-1-84973-384-7
PDF eISBN
978-1-84973-440-0

From the book series:
Issues in Toxicology