First, HiMap finds designs where edges are weighted based on a generalized similarity metric. Within HiMap, an edge with a high weight represents a relatively small perturbation between a ligand pair.Weights range from 0 to 1, where a value of 1 means the ligands are identical. To illustrate this, in Fig. , the transformation between ligands 7 and 8 is anticipated to be larger, or more complex, than a transformation from 8 to 9.