, including all inherited members.
| addLambda(Matrix< double > &matrix, double &lambda) | BALL::QSAR::Model | [protected] |
| ALLModel(const QSARData &q, double kw=4) | BALL::QSAR::ALLModel | |
| backTransformPrediction(Vector< double > &pred) | BALL::QSAR::Model | [protected] |
| calculateEuclDistanceMatrix(BALL::Matrix< double > &m1, BALL::Matrix< double > &m2, BALL::Matrix< double > &output) | BALL::QSAR::ALLModel | [protected] |
| calculateOffsets() | BALL::QSAR::NonLinearModel | [inline, protected, virtual] |
| calculateStdErr() | BALL::QSAR::Model | [inline, virtual] |
| calculateWeights(Matrix< double > &dist, Vector< double > &w) | BALL::QSAR::KNNModel | |
| BALL::QSAR::ALLModel::calculateWeights(BALL::Matrix< double > &dist, BALL::Vector< double > &w) | BALL::QSAR::ALLModel | [protected, virtual] |
| calculateXX(BALL::Vector< double > &w, BALL::Matrix< double > &res) | BALL::QSAR::ALLModel | [protected] |
| calculateXY(BALL::Vector< double > &w, BALL::Matrix< double > &res) | BALL::QSAR::ALLModel | [protected] |
| ClassificationValidation class | BALL::QSAR::Model | [friend] |
| copyData(const Model &m) | BALL::QSAR::Model | |
| copyDescriptorIDs(const Model &m) | BALL::QSAR::Model | |
| data | BALL::QSAR::Model | |
| default_no_opt_steps_ | BALL::QSAR::Model | [protected] |
| deleteDescriptorIDs() | BALL::QSAR::Model | |
| descriptor_IDs_ | BALL::QSAR::Model | [protected] |
| descriptor_matrix_ | BALL::QSAR::Model | [protected] |
| descriptor_names_ | BALL::QSAR::Model | [protected] |
| descriptor_transformations_ | BALL::QSAR::Model | [protected] |
| getDescriptorIDs() | BALL::QSAR::Model | |
| getDescriptorMatrix() | BALL::QSAR::Model | |
| getDescriptorNames() | BALL::QSAR::Model | |
| getKw() | BALL::QSAR::ALLModel | |
| getParameters() const | BALL::QSAR::KNNModel | [virtual] |
| getSubstanceNames() | BALL::QSAR::Model | |
| getSubstanceVector(const vector< double > &substance, bool transform) | BALL::QSAR::Model | [protected] |
| getSubstanceVector(const Vector< double > &substance, bool transform) | BALL::QSAR::Model | [protected] |
| getTrainingResult() const | BALL::QSAR::RegressionModel | |
| getType() | BALL::QSAR::Model | |
| getUnnormalizedFeatureValue(int compound, int feature, double &return_value) | BALL::QSAR::Model | |
| getUnnormalizedResponseValue(int compound, int response, double &return_value) | BALL::QSAR::Model | |
| getY() | BALL::QSAR::Model | |
| k_ | BALL::QSAR::KNNModel | [private] |
| KNNModel(const QSARData &q, int k=3) | BALL::QSAR::KNNModel | |
| kw_ | BALL::QSAR::ALLModel | [protected] |
| lambda_ | BALL::QSAR::ALLModel | [protected] |
| Model(const QSARData &q) | BALL::QSAR::Model | |
| model_val | BALL::QSAR::Model | |
| NonLinearModel(const QSARData &q) | BALL::QSAR::NonLinearModel | |
| offsets_ | BALL::QSAR::RegressionModel | [protected] |
| operator=(const RegressionModel &m) | BALL::QSAR::RegressionModel | [virtual] |
| BALL::QSAR::Model::operator=(const Model &m) | BALL::QSAR::Model | [virtual] |
| optimizeParameters(int k, int no_steps) | BALL::QSAR::KNNModel | [virtual] |
| BALL::QSAR::NonLinearModel::optimizeParameters(int k) | BALL::QSAR::Model | |
| predict(const vector< double > &substance, bool transform=1) | BALL::QSAR::ALLModel | [virtual] |
| readDescriptorInformation() | BALL::QSAR::Model | [protected] |
| readDescriptorInformationFromFile(std::ifstream &in, int no_descriptors, bool transformation, int no_coefficients) | BALL::QSAR::RegressionModel | [protected] |
| BALL::QSAR::Model::readDescriptorInformationFromFile(std::ifstream &in, int no_descriptors, bool transformation) | BALL::QSAR::Model | [protected, virtual] |
| readFromFile(string filename) | BALL::QSAR::ALLModel | [virtual] |
| readMatrix(Matrix< double > &mat, std::ifstream &in, uint lines, uint col) | BALL::QSAR::Model | [protected] |
| readModelParametersFromFile(std::ifstream &in) | BALL::QSAR::Model | [protected] |
| readResponseTransformationFromFile(std::ifstream &in, int no_y) | BALL::QSAR::Model | [protected] |
| readTrainingData() | BALL::QSAR::Model | |
| readVector(Vector< double > &vec, std::ifstream &in, uint no_cells, bool column_vector) | BALL::QSAR::Model | [protected] |
| RegressionModel(const QSARData &q) | BALL::QSAR::RegressionModel | |
| RegressionValidation class | BALL::QSAR::RegressionModel | [friend] |
| saveDescriptorInformationToFile(std::ofstream &out) | BALL::QSAR::RegressionModel | [protected, virtual] |
| saveModelParametersToFile(std::ofstream &out) | BALL::QSAR::Model | [protected] |
| saveResponseTransformationToFile(std::ofstream &out) | BALL::QSAR::Model | [protected] |
| saveToFile(string filename) | BALL::QSAR::ALLModel | [virtual] |
| setDataSource(const QSARData *q) | BALL::QSAR::Model | |
| setDescriptorIDs(const std::multiset< unsigned int > &sl) | BALL::QSAR::Model | |
| setKw(double kw) | BALL::QSAR::ALLModel | |
| setParameters(vector< double > &v) | BALL::QSAR::KNNModel | [virtual] |
| show() | BALL::QSAR::RegressionModel | |
| substance_names_ | BALL::QSAR::Model | [protected] |
| train() | BALL::QSAR::ALLModel | [inline, virtual] |
| training_result_ | BALL::QSAR::RegressionModel | [protected] |
| type_ | BALL::QSAR::Model | [protected] |
| Validation class | BALL::QSAR::Model | [friend] |
| validation | BALL::QSAR::RegressionModel | |
| Y_ | BALL::QSAR::Model | [protected] |
| y_transformations_ | BALL::QSAR::Model | [protected] |
| ~ALLModel() | BALL::QSAR::ALLModel | |
| ~Model() | BALL::QSAR::Model | [virtual] |
| ~NonLinearModel() | BALL::QSAR::NonLinearModel | |
| ~RegressionModel() | BALL::QSAR::RegressionModel | |
