Update Preprocessing Script.py

Preprocessing Script.py

@@ -152,6 +152,12 @@ for index, row in tqdm.tqdm(Long2023.iterrows()):
 for id, alert in problems:
     print(f"ID: {id}, problem: {alert[0]}")
 
+# Result interpretation
+#  - Can't kekulize mol: The error message means that kekulization would break the molecules down, so it couldn't proceed
+#  It doesn't mean that the molecules are bad, it just means that normalization failed 
+#  - () is present: The error message is not about a salt, not about a fragment, 
+#  It is showing there is a molecule () (ex) Benzene is present
+
 #5. Select columns and rename the dataset
 
 Long2023.rename(columns={'X': 'new SMILES', 'Y': 'Label'}, inplace=True)