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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 | |