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Published 20 hours ago • verified publisher icon deepchem

SIDER dataset: numbers of samples disagree

Open LanceKnight opened this issue 3 years ago • 1 comments

Hello,

The MoleculeNet documents state that SIDER dataset contains 1427 drugs. But the original SIDER paper said it had 1430 drugs. I cannot find the description for this discrepancy. Can some help me explain this? Thanks!

LanceKnight avatar Apr 27 '21 16:04 LanceKnight

Good question! If I had to guess offhand, perhaps rdkit has some processing errors on a few of the molecules? I'm not entirely sure

rbharath avatar Apr 29 '21 19:04 rbharath