Model | 1ULJ | 1WQL | 2YFJ | 2YFL | 2GBX | 2XSH | 2E4P | 3GZX | 3GZY |
---|---|---|---|---|---|---|---|---|---|
CoMFA | |||||||||
n | 18 | 10 | 14 | 15 | 20 | 10 | 7 | 10 | 15 |
q2 | 0.908 | 0.902 | 0.818 | 0.826 | 0.896 | 0.82 | 0.691 | 0.873 | 0.585 |
r2 | 0.948 | 0.931 | 0.881 | 0.892 | 0.948 | 0.862 | 0.770 | 0.905 | 0.717 |
SEE | 1.380 | 1.195 | 0.804 | 0.728 | 0.681 | 0.700 | 0.357 | 0.742 | 0.409 |
F | 192.403 | 269.003 | 102.590 | 106.547 | 169.704 | 123.646 | 95.879 | 189.390 | 32.668 |
S | 0.381 | 0.391 | 0.341 | 0.302 | 0.336 | 0.391 | 0.387 | 0.389 | 0.319 |
E | 0.619 | 0.609 | 0.659 | 0.698 | 0.664 | 0.609 | 0.613 | 0.611 | 0.681 |
CoMSIA | |||||||||
n | 15 | 18 | 10 | 20 | 8 | 20 | 3 | 19 | 16 |
q2 | 0.897 | 0.897 | 0.799 | 0.801 | 0.869 | 0.811 | 0.681 | 0.855 | 0.521 |
r2 | 0.915 | 0.930 | 0.825 | 0.865 | 0.888 | 0.856 | 0.714 | 0.905 | 0.630 |
SEE | 1.750 | 1.236 | 0.964 | 0.828 | 0.965 | 0.733 | 0.394 | 0.763 | 0.469 |
F | 138.685 | 139.531 | 93.571 | 59.999 | 197.637 | 55.866 | 170.659 | 94.295 | 20.393 |
S | 0.024 | 0.030 | 0.009 | 0.027 | 0.009 | 0.025 | 0.008 | 0.027 | 0.031 |
E | 0.769 | 0.681 | 0.837 | 0.716 | 0.831 | 0.721 | 0.848 | 0.709 | 0.677 |
H | 0.207 | 0.289 | 0.154 | 0.257 | 0.160 | 0.254 | 0.144 | 0.264 | 0.292 |
D | – | – | – | – | – | – | – | – | – |
A | – | – | – | – | – | – | – | – | – |