/usr/include/BALL/QSAR/mlrModel.h is in libball1.4-dev 1.4.3~beta1-3.
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 | // -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
//
#ifndef MLRMODEL
#define MLRMODEL
#ifndef LMODEL
#include <BALL/QSAR/linearModel.h>
#endif
#ifndef QSAR_EXCEPTION
#include <BALL/QSAR/exception.h>
#endif
namespace BALL
{
namespace QSAR
{
class BALL_EXPORT MLRModel : public LinearModel
{
public:
/** @name Constructors and Destructors
*/
//@{
/** constructur
@param q QSAR-wrapper object, from which the data for this model should be taken */
MLRModel(const QSARData& q);
~MLRModel();
//@}
/** @name Accessors
*/
//@{
/** Starts multiple linear regression with the current data and saves the resulting linear combination of descriptors to training_result. \n
In order for this to work, descriptor_matrix MUST have more rows than columns, so that the matrix is invertible !! \n
If this is not the case, start a feature selection method before running train() ! */
virtual void train();
//@}
};
}
}
#endif // MLRMODEL
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