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. 2020 Nov 10;21(22):8424. doi: 10.3390/ijms21228424

Table 1.

Assessment of prediction accuracy of ResNext-ensemble, ResNext, and KDEEP using the PDBbind-2016 dataset and mean absolute error and root mean square error metrics.

Model Learning Rate MAE (kcal/mol) RMSE (kcal/mol)
KDEEP 0.0001 1.131 1.462
0.0005 1.200 1.519
0.0006 1.164 1.534
0.0010 1.219 1.536
AK-score-single 0.0001 1.159 1.511
0.0005 1.101 1.415
0.0007 1.130 1.425
0.0010 1.110 1.406
AK-score-ensemble 0.0007 1.014 1.293

The lowest values are shown in bold.