Dowker complex based machine learning (DCML) models for protein-ligand binding affinity prediction
Table 5
The performance in terms of PCCs and RMSEs (pKd/pKi) for recently-proposed models using different training sets [54–64].
Note that values marked with * uses PDBbind-v2016 core set (N = 290), and the values marked with + uses PDBbind-v2013 core set(N = 180) and PDBbind-v2016 core set(N = 276).