BiochemistrybioRxivPreprint
From Predicted Ki to Surrogate IC50: Similarity-Guided Empirical Calibration of Drug Target Affinity Predictions
Basel Mansour, Shayoni Dutta, Binil Benny…·Dan Takahashi
The paper calibrates drug target affinity predictions to align with IC50 values using similarity-guided methods, reducing median fold error across kinase and non-kinase panels.
DOI 10.64898/2026.09.04.749433