Table 3 Statistical values of different parameters of the built atom-based 3D-QSAR model.
# Factors | SD | R2 | R2 CV | R2 Scramble | Stability | F | P | RMSE | Q2 | Pearson-r |
|---|---|---|---|---|---|---|---|---|---|---|
1 | 0.6837 | 0.5597 | 0.0736 | 0.6128 | 0.718 | 58.5 | 9.84E−10 | 0.54 | 0.6251 | 0.8323 |
2 | 0.3542 | 0.8844 | 0.2262 | 0.844 | 0.44 | 172.2 | 8.24E−22 | 0.44 | 0.7507 | 0.8752 |
3 | 0.1966 | 0.9652 | 0.3027 | 0.925 | 0.393 | 406.4 | 4.43E−32 | 0.49 | 0.6808 | 0.8252 |
4 | 0.1183 | 0.9877 | 0.2879 | 0.959 | 0.322 | 861.1 | 2.01E−40 | 0.41 | 0.7762 | 0.8918 |
5 | 0.0965 | 0.992 | 0.3058 | 0.9714 | 0.33 | 1040.2 | 7.40E−43 | 0.42 | 0.7675 | 0.8888 |