bootstrap(int k, bool restore=1) | BALL::QSAR::RegressionValidation | virtual |
bootstrap(int k, MatrixVector *results, bool restore=true) | BALL::QSAR::RegressionValidation | |
bootstrap1(int k, MatrixVector *results, bool restore=true) | BALL::QSAR::RegressionValidation | |
calculateCoefficientStdErrors(int k, bool b=1) | BALL::QSAR::RegressionValidation | |
crossValidation(int k, bool restore=true) | BALL::QSAR::RegressionValidation | virtual |
crossValidation(int k, MatrixVector *results, bool restore=true) | BALL::QSAR::RegressionValidation | |
getCoefficientStdErrors() | BALL::QSAR::RegressionValidation | |
getCVRes() | BALL::QSAR::RegressionValidation | virtual |
getFcv() | BALL::QSAR::RegressionValidation | |
getFitRes() | BALL::QSAR::RegressionValidation | virtual |
getFregr() | BALL::QSAR::RegressionValidation | |
getMaxError() | BALL::QSAR::RegressionValidation | |
getQ2() | BALL::QSAR::RegressionValidation | |
getR2() | BALL::QSAR::RegressionValidation | |
getStat() const | BALL::QSAR::Validation | |
getYRandResults() const | BALL::QSAR::Validation | |
model_ | BALL::QSAR::Validation | protected |
readFromFile(string filename) | BALL::QSAR::RegressionValidation | virtual |
RegressionValidation(RegressionModel *m) | BALL::QSAR::RegressionValidation | |
saveToFile(string filename) const | BALL::QSAR::RegressionValidation | virtual |
saveToFile(string filename, const double &r2, const double &q2, const Eigen::MatrixXd &coefficient_stddev, const Eigen::MatrixXd &yRand_results) const | BALL::QSAR::RegressionValidation | |
selectStat(int s) | BALL::QSAR::RegressionValidation | virtual |
setCoefficientStdErrors(const Eigen::MatrixXd *stddev) | BALL::QSAR::RegressionValidation | |
setCVRes(double d) | BALL::QSAR::RegressionValidation | virtual |
setQ2(double d) | BALL::QSAR::RegressionValidation | |
setTestLine(int test_line, int current_line, bool back_transform=0) | BALL::QSAR::Validation | protected |
setTrainingLine(int train_line, int current_line) | BALL::QSAR::Validation | protected |
substances_names_ | BALL::QSAR::Validation | protected |
test_substances_ | BALL::QSAR::Validation | protected |
test_Y_ | BALL::QSAR::Validation | protected |
testInputData(bool transform=0) | BALL::QSAR::RegressionValidation | virtual |
Validation(Model *m) | BALL::QSAR::Validation | |
validation_statistic_ | BALL::QSAR::Validation | protected |
yRand() | BALL::QSAR::Validation | protected |
yRand_results_ | BALL::QSAR::Validation | protected |
yRandomizationTest(int runs, int k) | BALL::QSAR::RegressionValidation | virtual |
~RegressionValidation() | BALL::QSAR::RegressionValidation | |
~Validation() | BALL::QSAR::Validation | virtual |