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How to add chemical abstracts service registry numbers and structures to databases via chemical names comparison
1Institute of Organic Chemistry, Vienna University of Technology, Austria. hkrebs@mail.zserv.tuwien.ac.at
Journal of Chemical Information and Computer Sciences
|April 13, 2000
Abstract:
For the conversion of nonstructural chemical databases to structure databases, a series of algorithms to find the closest match between existing names to names in a reference database are described. On the basis of the best match, new fields such as the Chemical Abstracts Service Registry Number (CASRN) or structures were added to the database.