Distillation enables scalable high-fidelity virtual screening across ultra-large chemical libraries
Jiawei Dai, Yueyue Wang, Naing Lin Shan, Marco Mariani, Zimeng Yu, Qin Yan, Lalit K. Golani, Yulia V. Surovtseva, Ho‐Joon Lee, Lajos Pusztai
This paper introduces FastBindRank, a distillation-based framework for high-fidelity virtual screening of large chemical libraries, achieving higher hit rates and discovery yields than traditional methods.
bioRxiv · Jul 3, 2026 · PreprintBioinformatics