User f28a846261
20-04-2013 00:57:48
A BindingDB user is concerned about stereochemistry in ChemAxon extended SMILES representations, and I don't know the answer to his question.
I gather that both the standard SMILES part and the ChemAxon extension that follows can include stereochemical information. In this case, can I be confident that the stereochemical information in both parts is the same? If not, which is more reliable?
Also, if I generate plain standard SMILES from ChemAxon, will it correctly handle the stereochemistry when the ChemAxon extension is absent?
Hope I have my facts right...
Thanks,
Mike