Hey you lovely people,
as I am creating a set of building blocks for my in-silico reaction, I
downloaded various accessible databases (ChemBL28, GDB13, GDB17, Pubchem,
emolecules and mcule) and want to just work through them with
"HasSubstructMatch". Unfortunately I run into a "File parsing error:
Dear all lovely people,
first of all, I'm rather new to to programming/python/Rdkit and probably my
issue is quite easy to solve if you're more experienced.
So I wrote a Python-Sycript simulating a reaction-workflow for a multi step
synthesis with a lot of different building blocks. The program
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