Open access
Jun 2026
Identifying and Addressing Systematic Data Leakage in Protein-Ligand Affinity Benchmarks
It is argued that the field must move beyond sequence-based splits to ensure that AI-driven discovery translates into successful prospective laboratory research, and that the field must move beyond sequence-based splits to ensure that AI-driven discovery translates into successful prospective laboratory research.
Björn Mattsson, Enlace Bio, W. Walters
· bioRxiv · 1 citation