Re: [Rdkit-discuss] name generator

Tue, 27 Aug 2013 11:14:04 -0700

Yes, in this direction (structure to name) the Resolver is only a database lookup,
in the other direction (name to structure), it first uses OPSIN (Daniel Lowe's library)
which can resolve correct IUPAC names generically, if OPSIN "fails" it does a database
lookup, too.

Markus


Not sure what software is behind it, but the NCI's Chemical Identifier Resolver may suit your needs.

For your example, the URL:


On Aug 27, 2013, at 11:54 AM, Sergio Martinez Cuesta <sermar...@gmail.com> wrote:

thanks Greg,

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