Re: [Rdkit-discuss] nitro-compounds from smarts
Open-Source Cheminformatics and Machine Learning
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From: Rafal R. <rmr...@gm...> - 2017-05-05 20:40:58
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Curt & Greg,
Thx for clarification.
> But it's not clear to me why you would need to query in this way.
in my code I use(d) smarts as a smiles with extra features ("regex",
atom numbering). As far as I remember I had some problem with smiles
and therefore decided to switch to smarts. Now I back to
smiles-version and realized the problem is in different place and smarts
only mask true problem.
Thanks again for comments and explanations.
Best,
Rafał
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