On Wed, Dec 16, 2009 at 11:18 AM, Stefan Kuhn <stefan.kuhn@ebi.ac.uk> wrote:
Hm, I just looked at the Chi* stuff and I can't really see which of them
counts Carbons (which is what the CarbonConnectivityOrderZeroDescriptor did,
as you said). Do you know which one actually replaces it?

ChiPathDescriptor. Within that, see order0()

(OK, on looking at that, I see that it considers all non-H atoms, not just carbon atoms)

Rajarshi Guha
NIH Chemical Genomics Center