BALL::QSAR::MLRModel Class Reference

#include <BALL/QSAR/mlrModel.h>

Inheritance diagram for BALL::QSAR::MLRModel:
BALL::QSAR::LinearModel BALL::QSAR::RegressionModel BALL::QSAR::Model BALL::QSAR::RRModel

List of all members.


Public Member Functions

Constructors and Destructors
 MLRModel (const QSARData &q)
 ~MLRModel ()
Accessors
virtual void train ()

Detailed Description

Definition at line 42 of file mlrModel.h.


Constructor & Destructor Documentation

BALL::QSAR::MLRModel::MLRModel ( const QSARData q  ) 

constructur

Parameters:
q QSAR-wrapper object, from which the data for this model should be taken
BALL::QSAR::MLRModel::~MLRModel (  ) 

Member Function Documentation

virtual void BALL::QSAR::MLRModel::train (  )  [virtual]

Starts multiple linear regression with the current data and saves the resulting linear combination of descriptors to training_result.
In order for this to work, descriptor_matrix MUST have more rows than columns, so that the matrix is invertible !!
If this is not the case, start a feature selection method before running train() !

Implements BALL::QSAR::Model.

Reimplemented in BALL::QSAR::RRModel.


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