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Figure 11 | Journal of Cheminformatics

Figure 11

From: PubChem3D: Shape compatibility filtering using molecular shape quadrupoles

Figure 11

Transformation 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.

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