Table 3. PremPS’ performance on four datasets.
Dataset | R | RMSE |
---|---|---|
S2297 | 0.57 | 1.23 |
RS2297 | 0.59 | 1.23 |
S824 | 0.74 | 1.48 |
RS824 | 0.71 | 1.61 |
R: Pearson correlation coefficient between experimental and predicted ΔΔG values. RMSE (kcal mol-1): root-mean square error. No statistically significantly differences in correlation coefficient are observed between S2297 and RS2297, and S824 and RS824 (Fisher1925 test).