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#include <BALL/QSAR/automaticModelCreator.h>
#include <iostream>
using namespace BALL::QSAR;
using namespace std;
int main(int argc, char* argv[])
{
if(argc!=4)
{
cout<<"Please specify: <data file> <output model file>"<<endl;
return 0;
}
typedef unsigned int Size;
QSARData input_data;
input_data.readFromFile(argv[1]);
AutomaticModelCreator creator(&input_data);
Model* model = creator.generateModel();
model->saveToFile(argv[2]);
cout<<"A model with satisfactory prediction quality has been sucessfully created and saved to file."<<endl;
delete model;
}
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