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ivanovaml
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CID_SID_IUPAC_PAIN

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ivanovaml commited on Oct 27, 2025

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@@ -24,7 +24,7 @@ This dataset is from samples used in the PubChem AID 686978 bioassay focuced on
 from rdkit import Chem
 from rdkit.Chem.FilterCatalog import FilterCatalog, FilterCatalogParams
-Source code: https://github.com/articlesmli/IUPAC_ML_model_TDP1/blob/main/IUPAC_ML_model/IUPAC_PAIN_checker.ipynb
 # Dataset Details

 from rdkit import Chem
 from rdkit.Chem.FilterCatalog import FilterCatalog, FilterCatalogParams
+Source code: https://github.com/articlesmli/IUPAC_ML_model_TDP1/blob/main/IUPAC_ML_model/PAIN_IUPAC_checker.ipynb
 # Dataset Details