By default, the data is projected to two dimensions and displayed in a scatterplot. To show all details of the original data, we include the well-established LineUp technique . This additional view -which can be opened on demand -facilitates interactive filtering and exploration of the chemical space (T1) and comparison of multiple models by various performance metrics (T3). The interactive table also allows users to group compounds and show summary visualizations of the data, as illustrated in Figure "Table View". For the compound structure, the summary visualization is the maximum common substructure of the compounds.