Hi Jean-Marc, On Sat, Apr 25, 2020 at 8:46 PM Jean-Marc Nuzillard < [email protected]> wrote:
> > Lipinski's rule of 5 indicates logP <5. > Is rdkit.Chem.Crippen.MolLogP() the suitable function > to calculate this logP? > Yes, that is a logP model of the sort that one would use for Lipinski calculations. -greg
_______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
