Hi Evgueni On Mon, Jul 20, 2009 at 7:05 PM, Evgueni Kolossov<ekolos...@gmail.com> wrote > > Another related question: is there any way to strip salts or I need to > implement it myself?
There is a deleteSubstructs() function in ChemTransforms that does the work, but it needs to be fed with a set of substructure definitions for the salts. There isn't currently such a thing distributed with the RDKit. -greg
