Hello, I am trying MurckoScaffold.MakeScaffoldGeneric(mol), but this keeps the side chains.
While my understanding of BM scaffolds is that only rings and ring linkers should be kept. The fact that the rdkit implementation keeps the side chains makes Murcko scaffolds a much less powerful filter to enforce molecular diversity. And I don't even see any option to force the standard/vanilla behavior. Or, am I missing something? Regards, F. _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
