Optibrium

The QSAR models are validated with independent test sets, i.e. sets of molecules not used to train the models. Such validation results are statistically rigorous tests of the predictive ability of the model, as opposed to cross correlation or training set results, which are often reported for other models. These latter values measure the ability of the model to fit the data in the training set, which is typically better than the true predictive ability of the model.