RDKit
Open-source cheminformatics and machine learning.
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MolStandardize Directory Reference

Directories

 AcidBaseCatalog
 
 FragmentCatalog
 
 TautomerCatalog
 
 TransformCatalog
 

Files

 Charge.h
 Defines the Reionizer class and Uncharger class.
 
 Fragment.h
 
 Metal.h
 Defines the MetalDisconnector class.
 
 MolStandardize.h
 Defines the CleanupParameters and some convenience functions.
 
 Normalize.h
 Defines the Normalizer class.
 
 Pipeline.h
 
 Tautomer.h
 
 Validate.h