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SIDER dataset: numbers of samples disagree #38

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LanceKnight opened this issue Apr 27, 2021 · 1 comment
Open

SIDER dataset: numbers of samples disagree #38

LanceKnight opened this issue Apr 27, 2021 · 1 comment

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@LanceKnight
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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!
@rbharath
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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 rbharath mentioned this issue May 5, 2021
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@rbharath @LanceKnight