An illustration of hunting for model cliffs. On the left side of the chemical map, two points lie in close proximity yet...University of Vienna
Two clusters have been attributed with high confidence by the reference model. The denser cluster on the left represents...University of Vienna
A screenshot of the KNIME visualization of chemical space using MolCompass KNIME node....University of Vienna
The demonstration of MolCompass illustrates how a computational toxicologist can identify concerning areas of chemical s...University of Vienna
