Dear Greg,
I have been trying figure-out how to return the count of aromatic rings
for molecules (in Python), and am going to have to admit defeat! I saw
in an earlier message
(http://www.mail-archive.com/rdkit-discuss@lists.sourceforge.net/msg0015
3.html) a similar query, but I'm afraid it didn't help me very much. I
also read the section on Aromaticity in the rdkit book, and realised
that maybe this isn't a trivial exercise!
I would like the count to count aromatic ring-systems such that bicyclic
(eg indole or naphthalene) would only count as 1. For reference, this
appears to be the behaviour of the OpenEye
OEDetermineAromaticRingSystems function - where the molecule derived
from the smiles "C(O)(=O)c1cccc2c1[nH]c(C3CCCc4c3cccc4)c2" (which
contains an indole and a tetrahydronaphthalene) gives a count of 2.
Any help would be greatly appreciated.
Thanks
James
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