Fig. 5From: A graph-based approach to construct target-focused libraries for virtual screeningCorrelation between exact and estimated Lipinski descriptors. For a given molecule, the following Lipinski’s descriptors are estimated from its fragments: a Molecular weight (MW), b the number of hydrogen bond acceptors (HBA), c the octanol–water partition coefficient (logP), and d the number of hydrogen bond donors (HBD). The distribution of the exact (gray) and estimated (black) properties are shown in histograms attached to correlation plotsBack to article page