From: PSnpBind-ML: predicting the effect of binding site mutations on protein-ligand binding affinity
Metric | real–real | real-pred | pred-real | pred–pred |
---|---|---|---|---|
R2 (5-fold CV) | 0.90 | 0.90 | 0.89 | 0.89 |
MAE (5-fold CV) | 0.35 | 0.35 | 0.38 | 0.38 |
MSE (5-fold CV) | 0.25 | 0.25 | 0.28 | 0.28 |
RMSE (5-fold CV) | 0.50 | 0.50 | 0.53 | 0.53 |
R2 (test set) | 0.90 | 0.89 | 0.87 | 0.88 |
MAE (test set) | 0.35 | 0.38 | 0.40 | 0.38 |
MSE (test set) | 0.25 | 0.27 | 0.32 | 0.28 |
RMSE (test set) | 0.50 | 0.52 | 0.56 | 0.52 |
RAE (test set) | 0.28 | 0.30 | 0.32 | 0.30 |
RRSE (test set) | 0.33 | 0.34 | 0.37 | 0.34 |