To demonstrate the accuracy of DBX2, docking and scoring performances were evaluated using a temporal split hold-out test set from Volkov et al . This dataset was carefully curated to eliminate latent biases, such as patterns in ligands or proteins, which can lead neural networks to depend on memorization rather than genuine protein-ligand interaction learning. As highlighted in previous studies , , this memorization often arises from significant redundancies between training and test sets, resulting in data leakage.