mims-harvard/TDC

Davis dataset contain "Drug" and “Drug Id” are not related.

Hogan-code opened this issue · 1 comments

Hogan-code commented

Describe your question.
After downloading the Davis dataset, I found "Drug" and “Drug Id” are not related.
eg:

Drug ID: 9809715
image

However:
image

I look forward to hearing from you soon.

kexinhuang12345 commented

Hi, sorry for the late reply. We have conducted a canonicalization step for all DTI datasets. These two SMILES strings correspond to the same molecule if you plot them.