It would be extremely helpful. Thanks a lot.
Gonzalo
________________________________
From: Greg Landrum [[email protected]]
Sent: Friday, May 31, 2013 4:57 AM
To: Gonzalo Colmenarejo-Sanchez
Cc: [email protected]
Subject: Re: [Rdkit-discuss] substructure search with fingerprints
On Wed, May 29, 2013 at 9:39 AM, Gonzalo Colmenarejo-Sanchez
<[email protected]<mailto:[email protected]>> wrote:
Sorry, I had to have said that I use C++. I search a bunch of substructures
(sometimes SMILES, sometimes SMARTS) against a lot of molecules.
I don't have any C++ sample code available for this at the moment. I'll try to
get something put together and posted this weekend.
-greg
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