Generative Access to Make-on-Demand Chemical Space Enables Ultra-Large Virtual Screening
Kaiyue Zhang, Ying Sun, Xinyue Li, Yuxuan Wang, Chen Peng, Xin Jin, Qi Hu, Jing Huang
The paper introduces REAL-SWIT, a generative framework for ultra-large virtual screening that efficiently explores chemical space by generating molecules with favorable docking scores.
bioRxiv · Sep 23, 2026 · PreprintBioinformatics