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RIDE: Reference-Anchored Inference-Time Diffusion Editing for Scaffold Hopping.

arXiv:2609.35623v1 Announce Type: new Abstract: Scaffold hopping is a critical task in drug discovery, which seeks to discover new, structurally distinct molecules that share key functional groups and similar 3D shape with a reference binding ligand. Existing

arXiv cs.AIResearch source·