post?
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> brian
>
>
> ----------
> *From:* Jacob D Durrant <durra...@pitt.edu>
> *Sent:* Thursday, October 12, 2017 10:21:46 PM
> *To:* rdkit-discuss@lists.sourceforge.net
> *Subject:* [Rdkit-discuss] Question about pKa prediction using RDKit
>
> I've been s
I've been struggling to implement the SMARTS-based pKa prediction algorithm
outlined by Crippen here: http://pubs.acs.org/doi/abs/10.1021/ci8001815
This same method has been mentioned elsewhere on this forum:
https://sourceforge.net/p/rdkit/mailman/message/27318424/ ;
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