Fig. 6: Violin plot of top 50 molecules generated using different pharmacophore models in three targets. | Communications Biology

Fig. 6: Violin plot of top 50 molecules generated using different pharmacophore models in three targets.

From: A structure-based framework for selective inhibitor design and optimization

Fig. 6

a The docking score (\(\downarrow\)) comparison. b The MW comparison. c The ligand efficiency (\(\uparrow\)) comparison. “IP” refers to the interaction pharmacophore model of the reference complex, and “DP” refers to the pharmacophore model obtained by the pocket-conditioned pharmacophore sampling module of the CMD-GEN model.

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