In the next step, the diversity of mappings between the three different mappers was investigated using the Jaccard score (see Figure ). If the Jaccard score is 1 between two mappings, then both mappings are equal. If the score is not close to 1, then mappings do not share the same mapped atom pairs. The RHFE dataset was the most diverse set of all mappings. 50% of mappings were shared between 3D Lomap and Kartograf, 60% identical mappings between 2D Lomap and 3D Lomap, and 70% identical mappings between 2D Lomap and Kartograf. We note that the molecules in the RHFE dataset have a very small number of atoms. As a consequence, small changes in the mapping lead to very large differences in the Jaccard score. The three different mapping approaches generated the least diverse mappings in the TYK2 dataset where 95% of the mappings were identical across the different mapping approaches. Finally, in the HIF2A set the mappings generated using the different approaches were again more diverse. Here, Kartograf shared 60% of identical mappings with 3D Lomap and 80% with 2D Lomap. Between 2D Lomap and 3D Lomap, 65% of mappings were shared. In very low Jaccard scores (i.e. very diverse mappings), the SIS approaches often 're-aligned' the molecules to map them. Such 're-alignments' could lead to larger changes, translating or rotating substructures and effectively modifying a given binding mode (see Figure ).