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Fig. 5 | Journal of Cheminformatics

Fig. 5

From: A novel interaction fingerprint derived from per atom score contributions: exhaustive evaluation of interaction fingerprint performance in docking based virtual screening

Fig. 5

Scaffold tree. Hierarchical tree of the scaffolds in the DUD datasets and reference ligands for a COX-2, b EGFR, c ER (antagonist), d SRC, e thrombin and f P38. Scaffolds only present in ligands from the DUD dataset are shown in blue and scaffolds also present in the reference ligands in red. Figure created with Scaffold Hunter [34]

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