Tautomerism in chemical information management systems.
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.
Warr
Wendy A
WA
Wendy Warr & Associates, Cheshire, England, UK. wendy@warr.com
D016208:Databases, Factual; D007536:Isomerism; D015394:Molecular Structure; D012984:Software