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Reading the Cell, Designing the Cure: Perturbation-Conditioned Molecular Diffusion for Function-Oriented Drug Design

arXiv cs.LG · 2026-05-18 Cached

This paper formalizes transcriptome-based drug design (TBDD) as a generative inverse problem and proposes CURE, a multi-resolution transcriptome-guided diffusion framework that generates drug molecules conditioned on desired transcriptomic state transitions.

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