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Figure 6 | Journal of Cheminformatics

Figure 6

From: PubChem3D: Biologically relevant 3-D similarity

Figure 6

Per-CID feature similarity statistics of biologically tested compounds. Distribution of the average and standard deviation of the CT scores for each of 734,486 molecules tested in at least one bioassay archived in the PubChem BioAssay database: (a) ST-optimized CT (CTST-opt) and (b) CT-optimized CT (CTCT-opt). All values binned in 0.01 increments.

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