Feng-Fei Miao

Evaluation of the Complementarity of Three Major Databases of Protein–Ligand Binding Affinity Data

Protein–ligand binding affinity data underpin a variety of tasks at the early stage of drug discovery. Public databases including ChEMBL, BindingDB, and PDBbind curate such data with distinct focuses, yet their data overlap and complementary attributes remain insufficiently quantified. In this work, we systematically...