Hello,
I have stereoisomers (R/S and/or E/Z), among other different molecules, and
I would like to consider the stereoisomers as one unique molecule, before
doing other comparison on the molecules (like is function A replaced by
function B).
Is there an easy way do that whithin pybel, or should I do it in several
steps like
- delete stereo information
- generate canonical smiles
- compare smiles
?
Thanks for any tips,
Regards,
Pascal
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