Figure 6From: PubChem3D: Shape compatibility filtering using molecular shape quadrupolesQuadrupole difference tolerance. The distributions of the 3-D neighbors as a function of the binned quadrupole differences, , of the two moleclues in each neighbor for (, ) = (100, 110), (100, 120), and (100, 130), respectively, illustrating how the frequency of ΔQbin rapidly decreases to zero as a function of magnitude.Back to article page