BALL
1.5.0
include
BALL
QSAR
automaticModelCreator.h
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#include <
BALL/COMMON/global.h
>
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#include <
BALL/QSAR/Model.h
>
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#include <
BALL/QSAR/QSARData.h
>
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namespace
BALL
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{
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namespace
QSAR
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{
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class
BALL_EXPORT
AutomaticModelCreator
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{
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public
:
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AutomaticModelCreator
(
const
QSARData
* data);
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Model
*
generateModel
();
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void
setData
(
const
QSARData
* data);
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void
setMinQuality
(
double
min_quality);
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private
:
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void
optimizeParameters(
Model
* model);
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void
selectFeatures(
Model
* model);
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const
QSARData
* data_;
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double
min_quality_;
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};
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}
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}
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QSARData.h
Model.h
BALL
Definition:
constants.h:13
BALL::QSAR::AutomaticModelCreator
Definition:
automaticModelCreator.h:13
BALL::QSAR::AutomaticModelCreator::AutomaticModelCreator
AutomaticModelCreator(const QSARData *data)
BALL::QSAR::AutomaticModelCreator::generateModel
Model * generateModel()
BALL::QSAR::AutomaticModelCreator::setMinQuality
void setMinQuality(double min_quality)
BALL::QSAR::AutomaticModelCreator::setData
void setData(const QSARData *data)
BALL::QSAR::Model
Definition:
Model.h:35
BALL::QSAR::QSARData
Definition:
QSARData.h:56
global.h
BALL_EXPORT
#define BALL_EXPORT
Definition:
COMMON/global.h:50
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