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RDKit
Open-source cheminformatics and machine learning.
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#include "../RDKitBase.h"#include "RGroupUtils.h"#include <GraphMol/SmilesParse/SmilesWrite.h>#include <GraphMol/Substruct/SubstructMatch.h>#include <GraphMol/ChemTransforms/ChemTransforms.h>#include <DataStructs/ExplicitBitVect.h>#include <boost/scoped_ptr.hpp>#include <set>#include <vector>#include <regex>Go to the source code of this file.
Classes | |
| struct | RDKit::RGroupData |
| A single rgroup attached to a given core. More... | |
Namespaces | |
| namespace | RDKit |
| Std stuff. | |