2 papers
cs.AI2026
An explainable hypothesis-driven approach to Drug-Induced Liver Injury with HADES
Maciej Wisniewski, Bartosz Topolski, Pawel Dabrowski-Tumanski +2
Drug-induced liver injury (DILI) remains a leading cause of late-stage clinical trial attrition. However, existing computational predictors primarily rely on binary classification,…
q-bio.BM2024
RapidDock: Unlocking Proteome-scale Molecular Docking
Rafał Powalski, Bazyli Klockiewicz, Maciej Jaśkowski +6
Accelerating molecular docking -- the process of predicting how molecules bind to protein targets -- could boost small-molecule drug discovery and revolutionize medicine. Unfortuna…