Figure 4
From: Atom-Atom-Path similarity and Sphere Exclusion clustering: tools for prioritizing fragment hits
Alignment of the atoms in molecules A and B based on the atom-to-atom similarity matrix. Highlighted atom pairs mark the highest similarity mapping for each atom. Some atom pairs are crossed out in the matrix to prevent the mapping of one atom in molecule B to multiple atoms in molecule A. Note that the pairs of atoms B1/B5 and B2/B4 are considered as symmetry equivalent as all bonds in B are aromatic and hydrogen atoms are not considered. A5 was assigned to B1 and not B5 because of the order of the atoms in the molecule file.