Hi, I’ve written a Jupyter notebook to calculate a variety of calculated properties of molecules (MWt, TPSA, HAC, HBD/A etc.)
I’d like to include the number of sp3 atoms, is there an easy way to do this? Cheers, Chris _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
