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

This research introduces Transcriptome-based Drug Design (TBDD) as a generative inverse problem to design drug molecules conditioned on desired transcriptomic state transitions. It proposes "ACURE" (A Cellular Response Engine), a multi-resolution transcriptome-guided diffusion framework, to address the challenges of this complex task.