Dear all,
I am new with openbabel and need your help. I have a list of SMILES and for
each compound, I need to calculate different fingerprint types provided by
openbabel. I installed the package but there is no information for how to
calculate fingerprints. I read the webpage of openbabel however it mentions
about similarity search in a ligand set. I dont need the similarity search
right now, just let me know how to calculate 4 types of fingerprints for my
SMILES list.
Best,
Aziz
Windows 10 için Posta<https://go.microsoft.com/fwlink/?LinkId=550986> ile
gönderildi
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