Figure 7From: PubChem3D: Shape compatibility filtering using molecular shape quadrupolesMonopole volume shape compatibility map and filter. The absolute value of the maximum possible value of for two molecules to be 3-D neighbors of each other, as a function of binned monopole volumes, and of molecules 1 and 2, respectively, at ST ≥ 0.8. The legend indicates the absolute value of .Back to article page