Table 2.
Data Set | Training Iterations | Features | Accuracy Measures | ||||||
---|---|---|---|---|---|---|---|---|---|
RMSE, Å2 | MAE, Å2 | MPE,% | MdPE, % | Δ90, % | R 2 | r | |||
Training set | 14,160 | Full | 12.6 | 7.5 | 1.46 | 1.00 | 3.21 | 0.987 | 0.993 |
26,000 | Full | 11.7 | 7.1 | 1.40 | 0.96 | 3.05 | 0.988 | 0.994 | |
76,110 | Full | 9.8 | 6.2 | 1.23 | 0.87 | 2.68 | 0.992 | 0.996 | |
30,000 | Reduced | 11.4 | 7.0 | 1.38 | 0.95 | 3.03 | 0.989 | 0.994 | |
Test set | 14,160 | Full | 13.1 | 7.7 | 1.50 | 1.02 | 3.28 | 0.985 | 0.993 |
26,000 | Full | 12.8 | 7.6 | 1.47 | 1.00 | 3.25 | 0.986 | 0.993 | |
76,110 | Full | 13.2 | 7.6 | 1.48 | 0.99 | 3.22 | 0.985 | 0.993 | |
30,000 | Reduced | 13.3 | 7.8 | 1.52 | 1.03 | 3.32 | 0.985 | 0.992 | |
ProteomeTools test set | 14,160 | Full | 14.9 | 9.4 | 1.84 | 1.28 | 4.02 | 0.983 | 0.991 |
26,000 | Full | 14.6 | 9.3 | 1.82 | 1.28 | 3.95 | 0.983 | 0.992 | |
76,110 | Full | 15.3 | 9.5 | 1.86 | 1.27 | 4.06 | 0.982 | 0.991 | |
30,000 | Reduced | 15.4 | 9.7 | 1.90 | 1.32 | 4.17 | 0.982 | 0.991 |