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Tautomerism in chemical information management systems.

Research paper by Wendy A WA Warr

Indexed on: 08 Apr '10Published on: 08 Apr '10Published in: Journal of Computer-Aided Molecular Design



Abstract

Tautomerism has an impact on many of the processes in chemical information management systems including novelty checking during registration into chemical structure databases; storage of structures; exact and substructure searching in chemical structure databases; and depiction of structures retrieved by a search. The approaches taken by 27 different software vendors and database producers are compared. It is hoped that this comparison will act as a discussion document that could ultimately improve databases and software for researchers in the future.