automaticModelCreator.h

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#include <BALL/QSAR/Model.h>
#include <BALL/QSAR/QSARData.h>

namespace BALL
{
  namespace QSAR
  {
    class AutomaticModelCreator
    {
      public:

        AutomaticModelCreator(const QSARData* data);

        Model* generateModel();

        void setData(const QSARData* data);

        void setMinQuality(double min_quality);

      private:

        void optimizeParameters(Model* model);

        void selectFeatures(Model* model);

        const QSARData* data_;

        double min_quality_;
    };

  }
}

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