#include <BALL/QSAR/registry.h>
Definition at line 92 of file registry.h.
BALL::QSAR::Registry::Registry |
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BALL::QSAR::Registry::~Registry |
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void BALL::QSAR::Registry::addEntry |
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RegistryEntry |
entry, |
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int |
uniqueID |
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) |
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returns an iterator to the first model in model_map
returns an iterator past the last model of model_map
String BALL::QSAR::Registry::getClassificationStatisticName |
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unsigned int |
no | ) |
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const std::map<unsigned int,String>* BALL::QSAR::Registry::getClassificationStatistics |
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String BALL::QSAR::Registry::getFeatureSelectionName |
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unsigned int |
no | ) |
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int BALL::QSAR::Registry::getModelNo |
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String |
model_name | ) |
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return the ID of a specified model
String BALL::QSAR::Registry::getRegressionStatisticName |
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unsigned int |
no | ) |
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const std::map<unsigned int,String>* BALL::QSAR::Registry::getRegressionStatistics |
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String BALL::QSAR::Registry::getValidationName |
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unsigned int |
no | ) |
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double BALL::QSAR::Registry::default_correlation_cutoff |
the default value for the absolute value of the correlation coefficient for removing of nearly colinear features
Definition at line 124 of file registry.h.
double BALL::QSAR::Registry::default_gridsearch_par1_start |
double BALL::QSAR::Registry::default_gridsearch_par2_start |
int BALL::QSAR::Registry::default_gridsearch_recursion |
int BALL::QSAR::Registry::default_gridsearch_steps |
double BALL::QSAR::Registry::default_gridsearch_stepwidth |
int BALL::QSAR::Registry::default_k |
default value for k-fold cross validation
Definition at line 109 of file registry.h.
double BALL::QSAR::Registry::default_kernel_par1 |
default value for first parameter of non-rbf kernels
Definition at line 100 of file registry.h.
double BALL::QSAR::Registry::default_kernel_par2 |
default value for second parameter of non-rbf kernels
Definition at line 103 of file registry.h.
int BALL::QSAR::Registry::default_nested_folds |
the default number of nested validation folds
Definition at line 121 of file registry.h.
int BALL::QSAR::Registry::default_no_boostrap_samples |
the default number of boostrap samples
Definition at line 115 of file registry.h.
int BALL::QSAR::Registry::default_no_permutations |
the default number of permutations to be done during response permutation testing
Definition at line 112 of file registry.h.
double BALL::QSAR::Registry::default_rbf_par |
default value for parameter of rbf kernels
Definition at line 106 of file registry.h.
double BALL::QSAR::Registry::default_valdition_fraction |
the default value for the fraction of the input data that should be set aside in case of external/nested validation
Definition at line 118 of file registry.h.