To perform a simple test you can use the datasets stored in the benchmark example datasets. Here, six datasets can be used. The first four data were suggests by the International Academy of Mathematical Chemistry as benchmark data sets in order to enable the comparison of new and old molecular descriptors, evaluate their predictive ability and provide better understanding of their meaning. Two other datasets are also provided in this section (Cramer’s steroid data and derivatives of 2-furylethylenes). Both data sets have become a benchmark for the assessment of novel QSAR methods. The molecules are available in various formats: SMILES and MDL SDF.