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5 #ifndef BALL_QSAR_FEATURESELECTION_H
6 #define BALL_QSAR_FEATURESELECTION_H
8 #ifndef BALL_QSAR_MODEL_H
12 #ifndef BALL_QSAR_KERNELMODEL_H
16 #ifndef BALL_QSAR_LINEARMODEL_H
39 EIGEN_MAKE_ALIGNED_OPERATOR_NEW
102 void updateWeights(std::multiset<unsigned int>& oldDescIDs, std::multiset<unsigned int>& newDescIDs, Eigen::VectorXd& oldWeights);
111 std::multiset<unsigned int>* findIrrelevantDescriptors();
117 Eigen::VectorXd* weights_;
120 void forward(
bool stepwise,
int k,
bool optPar);
123 double quality_increase_cutoff_;
void setQualityIncreaseCutoff(double &d)
void removeLowResponseCorrelation(double &min_correlation)
void removeEmptyDescriptors()
void removeHighlyCorrelatedFeatures(double &cor_threshold)
void stepwiseSelection(int k=4, bool optPar=0)
void implicitSelection(LinearModel &lm, int act=1, double d=1)
void backwardSelection(int k=4, bool optPar=0)
FeatureSelection(KernelModel &m)
void forwardSelection(int k=4, bool optPar=0)
FeatureSelection(Model &m)
BALL_EXTERN_VARIABLE const double k
void twinScan(int k, bool optPar=0)
void setModel(KernelModel &km)