Hi RDKitters,
I am preparing a set of compounds for a virtual screening.
While the majority are achiral compounds, there are also some racemic structures in the dataset.
For the virtual screen, I would like to enumerate the enantiomers from these racemates, e.g. from
"CC1CCCCN1" -> ["C[C@H]1CCCCN1", "C[C@@H]1CCCCN1"]
Is this somehow possible with RDKit?
Many thanks in advance.
Axel (www.aviru.de)
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