PharmacoBridge, an SE(3)-equivariant diffusion bridge, generates valid 3D drug-like molecules directly from pharmacophore point clouds and outperforms pocket-based baselines in pharmacophore matching and docking affinity on CrossDocked2020.
SE (3)-equivariant Network As illustrated in Eq
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Pharmacophore-guided de novo drug design with diffusion bridge
PharmacoBridge, an SE(3)-equivariant diffusion bridge, generates valid 3D drug-like molecules directly from pharmacophore point clouds and outperforms pocket-based baselines in pharmacophore matching and docking affinity on CrossDocked2020.