From: Ki DoQ: using docking based energy scores to develop ligand based model for predicting antibacterials
Size of training set
q 2
MAE
Size of test set
r 2
21
0.81 ± 0.01
2.26 ± 0.09
2
0.97 ± 0.02
0.74 ± 0.23
19
0.76 ± 0.03
2.58 ± 0.12
4
0.94 ± 0.02
0.94 ± 0.15
17
0.73 ± 0.03
2.7 ± 0.08
6
0.80 ± 0.11
1.60 ± 0.36