BALL::QSAR::MLRModel Class Reference

#include <BALL/QSAR/mlrModel.h>

Inheritance diagram for BALL::QSAR::MLRModel:

[legend]

List of all members.

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

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Detailed Description

Definition at line 42 of file mlrModel.h.

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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

(

)

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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.