Table 11 Prediction results of 1A0A and 1E9G by classification methods
PDB ID | Method | Natural hot spots predicted | Natural hot spots unpredicted | False hot spots |
|---|---|---|---|---|
1A0A | Boosting | A16, A19, A49, A53, A56, B16, B29, B49, B50, B52, B53 | A20, A23, A46, A50, A52, B23, B43, B46 | A15, A22, A57, B13, B19, B22, B42 |
Gradient boosting | A16, A19, A23, A46, A49, A52, A53, B16, B29, B49, B52, B53 | A50, B23, B43, B46 | A22, A26, B13, B19, B42, B57 | |
Random forest | A16, A19, A23, A46, A49, A50, A52, A53, B16, B29, B43, B49, B52, B50, B53, A56 | A20, B23, B46 | A22, A57 | |
1E9G | Boosting | A51, A52, A90, A279, A281, B51, A178, A181, B84, B90 | A87, A84, B52, B87, B178, B181, B279 | A82, A126, A128, B82, B128, B179 |
Gradient boosting | A51, A52, A87, A90, A279, A281, B51, B52, A178, A181, B84, B178, | A84, B87, B90, B181, B279 | A126, A128, B82, B126, B128, B278 | |
Random forest | A51, A52, A87, A90, A279, A281, B51, A178, A181, B84, B87, B90, B279 | A84, B52, B178, B181 | A128, B179 |