Table 9.
Compound | Enzyme | Observed versus predicted Ki values (r2) |
Cross correlation coefficient (q2) |
q2/r2 |
---|---|---|---|---|
Benzoins | hiCE | 0.816 | 0.751 | 0.92 |
hCE1 | 0.914 | 0.861 | 0.94 | |
rCE | 0.898 | 0.826 | 0.92 | |
Benzils | hiCE | 0.686 | 0.648 | 0.94 |
hCE1 | 0.918 | 0.887 | 0.97 | |
rCE | 0.885 | 0.848 | 0.96 |