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Fig. 5 | Journal of Cheminformatics

Fig. 5

From: A graph-based approach to construct target-focused libraries for virtual screening

Fig. 5

Correlation 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 plots

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