Fix rings in drugs smiles list #322
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It will not, @ANUGAMAGE Review this PR. You need to cross reference the smiles and IUPAC to the Rings in drugs paper: https://pubs.acs.org/doi/10.1021/jm4017625. Make sure naming and structures are correct. |
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@Lyq322 Can you remove the SMARTS? We aren't going to regulate that. |
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@Lyq322 I've merged it in and running tests now. |
Sulstice
reviewed
Sep 25, 2024
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Issue #315
I only changed the SMILES list but not the smarts, is that going to lead to errors?