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Update MutagenLou2023 Preprocessing.py
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MutagenLou2023 Preprocessing.py
CHANGED
@@ -20,7 +20,7 @@ fragment_remover = molvs.fragment.FragmentRemover()
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# Download 'ames_data.csv' in the paper
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#. Chemical rules for optimization of chemical mutagenicity via matched molecular pairs analysis and machine learning methods
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#. Chaofeng Lou, Hongbin Yang, Hua Deng, Mengting Huang, Weihua Li, Guixia Liu, Philip W. Lee & Yun Tang
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#. https://github.com/Louchaofeng/Ames-mutagenicity-optimization/blob/main/data/ames_data.csv
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Lou2023 = pd.read_csv("ames_data.csv")
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#3. Resolve SMILES parse error
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# Download 'ames_data.csv' in the paper
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#. Chemical rules for optimization of chemical mutagenicity via matched molecular pairs analysis and machine learning methods
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#. Chaofeng Lou, Hongbin Yang, Hua Deng, Mengting Huang, Weihua Li, Guixia Liu, Philip W. Lee & Yun Tang
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#. https://github.com/Louchaofeng/Ames-mutagenicity-optimization/blob/main/data/ames_data.csv
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Lou2023 = pd.read_csv("ames_data.csv")
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#3. Resolve SMILES parse error
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