Figure 6.
The number of highly potent true actives (EC50 < 1 µM) retrieved among the top 1% ranked molecules by a 2D ECFP4 fingerprint similarity search from the full PubChem BioAssay data and the corresponding LIT-PCBA PPARG ligand set after ligand-filtering. Ten known crystallographic PPARg agonists were randomly chosen as templates from 138 available structures on the Protein Data Bank.