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Figure 5 | Journal of Cheminformatics

Figure 5

From: USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints

Figure 5

Example of scaffold hopping with USRCAT. The first structure in the top left corner is an active query molecule from DUD-E target AA2AR. The following compounds were only retrieved by USRCAT and not by topological similarity at an Enrichment Factor (EF) 0.25%. The Tanimoto similarity between the active query and these compounds is displayed to the right of the compound name.

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