ChEMBLStandardizer.hpp File Reference

Definition of the class CDPL::Chem::ChEMBLStandardizer. More...

#include <vector>
#include <cstdint>
#include <utility>
#include <unordered_set>
#include <memory>
#include <boost/functional/hash.hpp>
#include "CDPL/Chem/APIPrefix.hpp"
#include "CDPL/Chem/BasicMolecule.hpp"
#include "CDPL/Chem/Fragment.hpp"
#include "CDPL/Chem/KekuleStructureCalculator.hpp"
#include "CDPL/Chem/SubstructureSearch.hpp"
#include "CDPL/Chem/HashCodeCalculator.hpp"
#include "CDPL/Chem/ProtonationStateStandardizer.hpp"
#include "CDPL/Util/BitSet.hpp"
#include "CDPL/Math/VectorArray.hpp"

Go to the source code of this file.

Classes
class	CDPL::Chem::ChEMBLStandardizer
	Implementation of the ChEMBL structure preprocessing pipeline. More...

Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Chem
	Contains classes and functions related to chemistry.

Detailed Description

Definition of the class CDPL::Chem::ChEMBLStandardizer.