Table 1 Average results and Standard Deviation (StdDev) from 5-Fold cross-validation on the CASF\(-\)2016.290 test set using PDBbind2016 and PDBbind2020 datasets
From: Distance plus attention for binding affinity prediction
Train Dataset | Predictors | R\((\uparrow )\) | RMSE\((\downarrow )\) | MAE\((\downarrow )\) | SD\((\downarrow )\) | CI\((\uparrow )\) |
|---|---|---|---|---|---|---|
PDBbind2016 | Average | 0.845 | 1.196 | 0.932 | 1.198 | 0.825 |
StdDev | 0.004 | 0.008 | 0.006 | 0.007 | 0.003 | |
PDBbind2020 | Average | 0.847 | 1.183 | 0.923 | 1.185 | 0.827 |
StdDev | 0.002 | 0.014 | 0.020 | 0.014 | 0.006 |