BALL  1.4.1
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Properties Friends Defines
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

constructur

Parameters:
qQSAR-wrapper object, from which the data for this model should be taken

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.

 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Properties Friends Defines