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RDKit
Open-source cheminformatics and machine learning.
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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 | |