I believe InchiKey uses a 1 way hash (sha-256), so what you are asking for is
basically impossible. That is, to go from InchiKey to molecule requires already
having a table of molecules corresponding to the InchiKeys. There are various
services online that have such lookup tables for a large number of molecules
(e.g. NCI CADD resolver, PubChem).
-David
> On Aug 1, 2017, at 9:05 PM, Kazmierczak Stéphane <steph...@bioagelabs.com>
> wrote:
>
> Hello, I would like to draw molecules with rdkit, but only have inchikeys.
> I compiled rdkit with inchi support but it seems that I can only output
> inchikeys but not import them.
>
> Are there any api function that I am missing ?
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