The carbocations are in small heterocyclic molecules. see CHEMBL3815233
Brian
________________________________
From: Chris Swain <[email protected]>
Sent: Monday, August 7, 2017 11:46:30 AM
To: [email protected]
Subject: [Rdkit-discuss] . Re: using rdkit to read in chembl23 1.7 million
compounds
I've not tried to read in ChEMBL but I have tried to process other large
datasets e.g. ZINC. My impression was that problems arose with small
heterocyclic systems, particularly if fused or containing multiple different
heteroatoms. I did wonder if the different aromaticity models might be the
issue.
Chris
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