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Datasets:
maomlab
/
Boldini2024

Tasks:
Tabular Classification
Tabular Regression
Languages:
English
Size:
1M<n<10M
Tags:
HTS
License:
Dataset card Files
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haneulpark commited on
Commit
eb2d4ab
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verified ·
1 Parent(s): 375169b

Update Boldini2024 Preprocessing.py

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  1. Boldini2024 Preprocessing.py +2 -2
Boldini2024 Preprocessing.py CHANGED
@@ -58,5 +58,5 @@ for id, alert in problems:
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  #5. Select columns and rename the dataset
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- df.rename(columns={'X': 'new SMILES'}, inplace=True)
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- df[['new SMILES', 'Primary', 'Score', 'Confirmatory']].to_csv('GPCR_sanitized.csv', index=False)
 
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  #5. Select columns and rename the dataset
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+ df.rename(columns={'X': 'SMILES'}, inplace=True)
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+ df[['SMILES', 'Primary', 'Score', 'Confirmatory']].to_csv('GPCR_sanitized.csv', index=False)