Don't Retrain, Just Reuse: Recovering Dual-Target Molecules from Single-Target Diffusion Models 事件

Don't Retrain, Just Reuse: Recovering Dual-Target Molecules from Single-Target Diffusion Models arXiv:2605.25681v1 Announce Type: cross Abstract: Designing a single molecule that modulates two targets is a promising strategy for polypharmacology, but it remains substantially harder than standard single-target generation because one candidate must satisfy two binding requirements while preserving drug-likeness and synthesizability. Existing dual-target generative methods typically introduce dual