Figure 3
From: PubChem3D: Shape compatibility filtering using molecular shape quadrupoles
Quadrupole interdependence. The distribution of 17.1 million molecules from the PubChem Compound database as a function of (a) Q x and Q y , (b) Q x and Q z , and (c) Q y and Q z , respectively. Q x , Q y , and Q z were binned into units of 2.5 Å5, 0.5 Å5, and 0.1 Å5, respectively. The legend indicates the frequency of observation.