Figure 11From: PubChem3D: Shape compatibility filtering using molecular shape quadrupolesTransformation of shape compatibility map into a filter. Schematic diagram describing modification of an original difference map at a given ΔQbin value: (a) in an original map, neighbor regions are indicated in red, (b) all empty bins between the minimum and maximum values of at each were set to neighbor regions (purple), and (c) all empty bins between the minimum and maximum values of at each (yellow) were set to neighbor regions.Back to article page