For this work, we define nine regions of each chemical space representation using the minimum and maximum values of the t-SNE coordinates that contain positive DILI compounds (this step is schematically explained in Figure in the Supplementary material). The criteria to delimit each region are available in the Supplementary material (MetricOfDataFusion.xlsx). Finally, each weight peer quadrant was multiplied by the coordinate (t-SNE 1 or 2) of each compound contained in each chemical space representation.