Hi Ji, A similar question was asked before, maybe it helps: https://www.mail-archive.com/[email protected]/msg07060.html
You can use a lookup database, like those mentioned in the above, or e.g. Unichem InChI from InChIKey service:
https://www.ebi.ac.uk/unichem/info/webservices#GetInchiFromInchikey Best, Ines On 2019-06-10 11:38, HC.Ji wrote:
Hello, I know rdkit can convert inchi to inchikey, is it possible to convert inchikey to inchi ? Best, _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
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