m]
> *Sent:* 18 August 2016 10:03
> *To:* Campbell J.E.
> *Cc:* rdkit-discuss@lists.sourceforge.net
> *Subject:* Re: [Rdkit-discuss] Polar surface areas
>
>
>
> Hi Josh,
>
>
>
> Adrian already answered about the 2D version of the TPSA that's available
>
...@gmail.com]
Sent: 18 August 2016 10:03
To: Campbell J.E.
Cc: rdkit-discuss@lists.sourceforge.net
Subject: Re: [Rdkit-discuss] Polar surface areas
Hi Josh,
Adrian already answered about the 2D version of the TPSA that's available in
the RDKit.
I suspect, however, that you're more interested in a 3D
Hi Josh
You have TPSA (Topological Polar Surface Area) in Rdkit Descriptors
http://www.rdkit.org/Python_Docs/rdkit.Chem.Descriptors-module.html
Check the list of all descriptors
http://www.rdkit.org/docs/GettingStartedInPython.html#list-of-available-descriptors
regards
Adrian Jasiński
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