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Figure 3 | Journal of Cheminformatics

Figure 3

From: A physicochemical descriptor-based scoring scheme for effective and rapid filtering of kinase-like chemical space

Figure 3

Top virtual screening hits from the focused set database (blue squares) and the random set database (red triangles) for three selected kinase targets: a) B-Raf; b) MK2; and c) CDK2. For each target, only those selected docking hits are shown that yielded a better docking score than the native ligand docking score for both screening libraries, i.e., the focused set and the random set. A significant difference was observed in the number of selected hits between these library sets, with better enrichment of the focused set of compounds.

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