Skip to main content


Figure 10 | Journal of Cheminformatics

Figure 10

From: PubChem3D: Biologically relevant 3-D similarity

Figure 10

μ ( XT NN-NI ) per-AID similarity statistics. The distribution of the difference of the average similarity scores for noninactive-noninactive (NN) pairs and noninactive-inactive (NI) pairs of 1,389 AIDs in the PubChem BioAssay database: (a) shape-Tanimoto (ST), (b) color-Tanimoto (CT), and (c) Combo-Tanimoto (ComboT). All values binned in 0.01 increments.

Back to article page