That molecule's SMILES is correctly rendered by RDKit, or at least by the
version of RDKit behind Slack:

[image: Inline image 1]


-P.

On Mon, Aug 7, 2017 at 3:54 PM, Bennion, Brian <benni...@llnl.gov> wrote:

> The carbocations are in small heterocyclic molecules. see CHEMBL3815233
>
> Brian
>
>
> ------------------------------
> *From:* Chris Swain <sw...@mac.com>
> *Sent:* Monday, August 7, 2017 11:46:30 AM
> *To:* rdkit-discuss@lists.sourceforge.net
> *Subject:* [Rdkit-discuss] . Re: using rdkit to read in chembl23 1.7
> million compounds
>
> I've not tried to read in ChEMBL but I have tried to process other large
> datasets e.g. ZINC. My impression was that problems arose with small
> heterocyclic systems, particularly if fused or containing multiple
> different heteroatoms. I did wonder if the different aromaticity models
> might be the issue.
>
> Chris
> ------------------------------------------------------------
> ------------------
> Check out the vibrant tech community on one of the world's most
> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
> _______________________________________________
> Rdkit-discuss mailing list
> Rdkit-discuss@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>
> ------------------------------------------------------------
> ------------------
> Check out the vibrant tech community on one of the world's most
> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
> _______________________________________________
> Rdkit-discuss mailing list
> Rdkit-discuss@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>
>
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss

Reply via email to