Skip to main content


Figure 3 | Journal of Cheminformatics

Figure 3

From: PubChem3D: Biologically relevant 3-D similarity

Figure 3

Individual feature histograms of biologically tested compounds. Frequency (blue) and percent cumulative frequency (red) of respective feature atom count for the 734,486 molecules tested in at least one bioassay archived in the PubChem BioAssay database: (a) hydrogen-bond donor count, (b) hydrogen-bond acceptor count, (c) anion count, (d) cation count, (e) hydrophobe count, and (f) ring count.

Back to article page