From: The algebraic extended atom-type graph-based model for precise ligand–receptor binding affinity prediction
Model
RMSE
MAE
SD
Kendall’s \(\tau \)
Spearman’s \(\rho \)
\(\text {AGL-EAT}_{\Phi _E,5.5, 2.0}^{\textrm{Adj}}\)
0.41
0.31
0.26
0.539
0.729
\(\text {AGL-EAT}_{\Phi _E,4.5, 2.0}^{\textrm{Lap}}\)
0.40
0.25
0.552
0.742