Additionally, ChemPlot can also be used to verify whether the dataset is properly split into train and test sets that are both adequately covering the chemical space . Furthermore, by employing the clustering feature of ChemPlot, a test set region that is not properly covered by the training set can be intentionally put aside in order to evaluate the extrapolation capability of the model. Figure shows an example use case of ChemPlot for identifying and isolating a test set that lies outside of the