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Chapter 7

Structure, Substructure and Superstructure Searching

Some of the technical essentials for searching based on chemical structures are described, including algorithms for generating unique identifiers for chemical structures, and techniques such as atom-by-atom mapping and set reduction.

Publication details


Print publication date
15 Feb 2019
Copyright year
2019
Print ISBN
978-1-78801-471-7
PDF eISBN
978-1-78801-618-6
ePub eISBN
978-1-78801-742-8