#include <BALL/QSAR/registry.h>
Definition at line 72 of file registry.h.
◆ Registry()
BALL::QSAR::Registry::Registry |
( |
| ) |
|
◆ ~Registry()
BALL::QSAR::Registry::~Registry |
( |
| ) |
|
◆ addEntry()
void BALL::QSAR::Registry::addEntry |
( |
RegistryEntry |
entry, |
|
|
int |
uniqueID |
|
) |
| |
◆ beginEntry()
returns an iterator to the first model in model_map
◆ endEntry()
returns an iterator past the last model of model_map
◆ getClassificationStatisticName()
String BALL::QSAR::Registry::getClassificationStatisticName |
( |
unsigned int |
no | ) |
|
◆ getClassificationStatistics()
const std::map< unsigned int, String > * BALL::QSAR::Registry::getClassificationStatistics |
( |
| ) |
|
◆ getEntry() [1/2]
◆ getEntry() [2/2]
◆ getFeatureSelectionName()
String BALL::QSAR::Registry::getFeatureSelectionName |
( |
unsigned int |
no | ) |
|
◆ getModelNo()
int BALL::QSAR::Registry::getModelNo |
( |
String |
model_name | ) |
|
return the ID of a specified model
◆ getRegressionStatisticName()
String BALL::QSAR::Registry::getRegressionStatisticName |
( |
unsigned int |
no | ) |
|
◆ getRegressionStatistics()
const std::map< unsigned int, String > * BALL::QSAR::Registry::getRegressionStatistics |
( |
| ) |
|
◆ getValidationName()
String BALL::QSAR::Registry::getValidationName |
( |
unsigned int |
no | ) |
|
◆ RegistryEntry
◆ default_correlation_cutoff
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 104 of file registry.h.
◆ default_gridsearch_par1_start
double BALL::QSAR::Registry::default_gridsearch_par1_start |
◆ default_gridsearch_par2_start
double BALL::QSAR::Registry::default_gridsearch_par2_start |
◆ default_gridsearch_recursion
int BALL::QSAR::Registry::default_gridsearch_recursion |
◆ default_gridsearch_steps
int BALL::QSAR::Registry::default_gridsearch_steps |
◆ default_gridsearch_stepwidth
double BALL::QSAR::Registry::default_gridsearch_stepwidth |
◆ default_k
int BALL::QSAR::Registry::default_k |
default value for k-fold cross validation
Definition at line 89 of file registry.h.
◆ default_kernel_par1
double BALL::QSAR::Registry::default_kernel_par1 |
default value for first parameter of non-rbf kernels
Definition at line 80 of file registry.h.
◆ default_kernel_par2
double BALL::QSAR::Registry::default_kernel_par2 |
default value for second parameter of non-rbf kernels
Definition at line 83 of file registry.h.
◆ default_nested_folds
int BALL::QSAR::Registry::default_nested_folds |
the default number of nested validation folds
Definition at line 101 of file registry.h.
◆ default_no_boostrap_samples
int BALL::QSAR::Registry::default_no_boostrap_samples |
the default number of boostrap samples
Definition at line 95 of file registry.h.
◆ default_no_permutations
int BALL::QSAR::Registry::default_no_permutations |
the default number of permutations to be done during response permutation testing
Definition at line 92 of file registry.h.
◆ default_rbf_par
double BALL::QSAR::Registry::default_rbf_par |
default value for parameter of rbf kernels
Definition at line 86 of file registry.h.
◆ default_valdition_fraction
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 98 of file registry.h.