Correlation coefficients for the TFK CE QSAR models
Time and Enzyme | Observed versus Predicted Ki (Kiapp) Values (r2) | Cross-Correlation Coefficient (q2) | q2/r2 |
|---|---|---|---|
| 5 min | |||
| hiCE | 0.908 | 0.900 | 0.991 |
| hCE1 | 0.943 | 0.896 | 0.950 |
| rCE | 0.948 | 0.900 | 0.949 |
| 24 h | |||
| hiCE | 0.941 | 0.900 | 0.956 |
| hCE1 | 0.935 | 0.900 | 0.963 |
| rCE | 0.937 | 0.900 | 0.961 |