Table 7.
Prediction of QSAR models on drug compounds.
| Compounds | VEGFR2 model | FGFR1 model | ||||
|---|---|---|---|---|---|---|
| Experimental pIC50 | Predicted pIC50 | Prediction error | Experimental pIC50 | Predicted pIC50 | Prediction error | |
| 2a | 5.022 | 4.902 | − 0.120 | 4.475 | 4.431 | − 0.044 |
| 2b | 4.073 | 4.223 | 0.150 | 4.254 | 4.192 | − 0.062 |
| 2c | 4.340 | 4.437 | 0.097 | 4.528 | 4.459 | − 0.069 |
| 2d | 4.701 | 4.763 | 0.062 | 4.378 | 4.408 | 0.030 |
| 2e | 4.242 | 4.193 | − 0.049 | 4.064 | 4.148 | 0.084 |
| 2f | 4.422 | 4.343 | − 0.079 | 4.186 | 4.170 | − 0.016 |
| 4a | 4.135 | 4.143 | 0.008 | 4.327 | 4.342 | 0.015 |
| 4b | 4.822 | 4.560 | − 0.262 | 4.202 | 4.208 | 0.006 |
| 4c | 4.290 | 4.487 | 0.197 | 4.000 | 4.027 | 0.027 |
| 4d | 4.584 | 4.569 | − 0.015 | 4.106 | 4.083 | − 0.023 |
| AFATINIB | 4.390 | 4.357 | − 0.033 | 4.390 | 4.370 | − 0.020 |
| AXITINIB | 4.640 | 4.643 | 0.003 | 4.640 | 4.672 | 0.032 |
| DACOMITINIB | 5.160 | 5.137 | − 0.023 | 5.160 | 5.168 | 0.008 |
| Doxorubicin | 5.281 | 5.290 | 0.009 | 5.173 | 5.177 | 0.004 |
| ENTRECTINIB | 5.030 | 5.039 | 0.009 | 5.030 | 4.717 | − 0.313 |
| ERDAFITINIB | 4.180 | 4.174 | − 0.006 | 4.180 | 4.197 | 0.017 |
| GEFITINIB | 4.280 | 4.256 | − 0.024 | 4.280 | 4.269 | − 0.011 |
| OLMUTINIB | 5.100 | 4.761 | − 0.339 | 5.100 | 4.714 | − 0.386 |
| OSIMERTINIB | 4.510 | 4.538 | 0.028 | 4.510 | 4.491 | − 0.019 |
| ROCILETINIB | 4.780 | 4.810 | 0.030 | 4.780 | 4.763 | − 0.018 |
| TUCATINIB | 5.090 | 5.098 | 0.008 | 5.090 | 5.105 | 0.015 |