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RDKit
Open-source cheminformatics and machine learning.
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Namespaces | |
RDKit | |
Std stuff. | |
Functions | |
const RDKIT_FILTERCATALOG_EXPORT FilterCatalog & | RDKit::GetFunctionalGroupHierarchy () |
Return the functional group hierarchy as a FilterCatalog. More... | |
const RDKIT_FILTERCATALOG_EXPORT std::map< std::string, ROMOL_SPTR > & | RDKit::GetFlattenedFunctionalGroupHierarchy (bool normalized=false) |