Hi,
I am trying to determine the number of aromatic rings and non-aromatic
rings in a given smiles string. Right now I am using the following command
len(mol.OBMol.GetSSSR())
This given the total number of rings in the string but does not say how
many of those rings are aromatic.
Is there a way to determine the number of aromatic rings?
Thank you for your help.
Best regards,
-Atif
--
Mohammad Atif Faiz Afzal
PhD student,
University at Buffalo
The State University of New York
Department of Chemical and Biological Engineering
205 Furnas Hall
Buffalo, NY 14260
Ph no- 716-262-5115
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