BioinformaticsbioRxivPreprint
How Bias Shapes the Leaderboard: Scoring Function Performance Under Scrutiny
David Graber, Jakub Kopko, Peter Stockinger…·Siddhartha Mishra
This study evaluates how systemic biases affect scoring function performance in virtual screening, finding that biases can inflate results and that classical methods outperform machine learning models on out-of-distribution targets.
DOI 10.64898/2026.07.27.740774