Table 2. Evaluation of data imputation methods.
Error | Method | Clashscore | RSRZ outliers [%] | Ramachandran outliers [%] | Rotamer outliers [%] | R free [%] |
---|---|---|---|---|---|---|
MAD | MICE | 2.5(3) | 2.01(2) | 0.21(1) | 1.23(3) | 1.02(2) |
Mean | 4.4(3) | 2.30(2) | 0.49(1) | 2.11(4) | 2.50(4) | |
Median | 2.9(3) | 1.86(2) | 0.04(1) | 1.39(4) | 2.50(4) | |
MAE | MICE | 3.7(4) | 2.54(3) | 0.41(2) | 1.77(4) | 1.31(2) |
Mean | 5.7(6) | 2.74(3) | 0.61(2) | 2.56(6) | 3.00(3) | |
Median | 5.1(7) | 2.60(3) | 0.49(3) | 2.34(7) | 3.00(3) | |
RMSE | MICE | 5.7(15) | 3.84(15) | 0.84(11) | 2.64(10) | 1.77(3) |
Mean | 8.9(23) | 4.04(14) | 1.24(16) | 3.65(14) | 3.82(4) | |
Median | 9.3(24) | 4.17(14) | 1.32(16) | 3.85(15) | 3.82(4) |