RDKit
Open-source cheminformatics and machine learning.
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a class used to store Crippen parameters More...
#include <Crippen.h>
Public Member Functions | |
~CrippenParams () | |
Public Attributes | |
boost::shared_ptr< const ROMol > | dp_pattern |
unsigned int | idx |
std::string | label |
std::string | smarts |
double | logp |
double | mr |
RDKit::Descriptors::CrippenParams::~CrippenParams | ( | ) |