Figure 5From: USRCAT: real-time ultrafast shape recognition with pharmacophoric constraintsExample 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.Back to article page