Dear Navid,

(T)PSA is typically measured in angstroms squared (A^2). You may also want to have a look at

https://peter-ertl.com/reprints/Ertl-JMC-43-3714-2000.pdf

Best,
Nils

Am 08.01.2021 um 15:46 schrieb Navid Shervani-Tabar:
Dear RDKiters,

I was wondering what is the unit for the calculated polar surface area using the "Descriptors.TPSA" function.

Thanks,
Navid


_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss




_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss

Reply via email to