When DL-Based Prescreening Meets Synthon-Based Docking: Target-Adapting PharmacoNet via MEL-Steered Correction
Wenjin Liu, Yongchan Hong, Thomas Ku, Woojin Lee, Emily Nguyen, Ao Xu, Vsevolod Katritch
The paper adapts a general pharmacophore prescreening method to specific targets using fragment-docking data from the V-SYNTHES pipeline, improving its performance without additional data or retraining.
bioRxiv · Sep 4, 2026 · PreprintBioinformatics