SyntheMol-RL: a flexible reinforcement learning framework for designing novel and synthesizable antibiotics
Kyle Swanson, Gary K. Liu, Denise B. Catacutan, Stewart McLellan, Autumn Arnold, Megan M. Tu, Eric D. Brown, James Zou, Jonathan M. Stokes
SyntheMol-RL generates novel and synthesizable antibiotics by optimizing for antibacterial activity and solubility, outperforming prior models and showing in vitro and in vivo efficacy.
bioRxiv · May 17, 2025 · PreprintBiochemistry