A strategy to evaluate if the clustering of associated and non associated DILI compounds is efficient is calculating the distance between each compound in each chemical space representation. Namely, the shortest distances between DILI-associated compounds indicate that the clustering method is more efficient. The largest distance in the clustering between DILI-associated compounds indicates that the method is not capable of clustering them. To this end, the Manhattan distances were calculated by each pair of compounds on the dataset . The distances were calculated using the "distance matrix calculate" node in KNIME. The protocol is available in the Supplementary material (Multitiverse_DataFusion.knwf). The mean distance between associated (or non-associated) DILI compounds and their standard deviation were calculated and plotted.