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SMILES cleanup problem #1

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pgniewko opened this issue Dec 11, 2019 · 0 comments
Open

SMILES cleanup problem #1

pgniewko opened this issue Dec 11, 2019 · 0 comments
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@pgniewko
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While looking for solubility cliffs it appeared to me that some compounds are present twice due to being in ionized "form". This should not happen if the SMILES were cleaned properly.
@pgniewko pgniewko added the bug Something isn't working label Dec 11, 2019
@pgniewko pgniewko self-assigned this Dec 11, 2019
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