Is there a way to converting IUPAC nomenclature into SMILES, InChI, or
Molfile formats?
I didn't found any clues in RDKit Documentation.
it would be nice if you can add such functionality.
Fast way for that can be using OPSIN library:
https://bitbucket.org/dan2097/opsin/
http://opsin.ch.cam.ac.uk/
I found that something like this is added to Rubidium, some
chemical-informatics tool written in Ruby
http://depth-first.com/articles/2007/10/19/easily-convert-iupac-nomenclature-to-smiles-inchi-or-molfile-with-rubidium/
regards
Adrian Jasinski
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