PubChemFingerprintGenerator.hpp File Reference

Definition of the class CDPL::Descr::PubChemFingerprintGenerator. More...

#include <cstddef>
#include <unordered_set>
#include "CDPL/Descr/APIPrefix.hpp"
#include "CDPL/Chem/SubstructureSearch.hpp"
#include "CDPL/Chem/Fragment.hpp"
#include "CDPL/Chem/ExtendedSSSR.hpp"
#include "CDPL/Util/BitSet.hpp"

Go to the source code of this file.

Classes
class	CDPL::Descr::PubChemFingerprintGenerator
	Generation of 881 bit PubChem fingerprints. More...

Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Descr
	Contains classes and functions related to the generation and processing of pharmacophore and molecule descriptors.

Detailed Description

Definition of the class CDPL::Descr::PubChemFingerprintGenerator.