Research Article
QSPR Modeling of Fungicides Using Topological Descriptors
Table 10
Statistical parameters used in QSPR model for F(G).
| Physiochemical property | N | A | b | r | r2 | F | |
| Solubility in water | 11 | ā98.456 | 0.645 | 0.202 | 0.041 | 0.381 | 0.552 | Boiling point | 13 | 386.780 | 0.310 | 0.211 | 0.044 | 0.512 | 0.489 | Density | 13 | 0.740 | 0.002 | 0.605 | 0.366 | 6.357 | 0.028 | Melting point | 13 | 1.929 | 0.336 | 0.197 | 0.039 | 0.443 | 0.519 | Molar mass | 13 | 143.313 | 0.570 | 0.776 | 0.602 | 16.662 | 0.002 | Flash point | 13 | 187.734 | 0.187 | 0.211 | 0.045 | 0.513 | 0.489 | Topological polar surface area | 13 | 7.378 | 0.163 | 0.315 | 0.099 | 1.211 | 0.295 | Heavy atom count | 13 | 8.273 | 0.044 | 0.844 | 0.713 | 27.269 | 0.000 | Complexity | 13 | ā52.270 | 1.387 | 0.788 | 0.620 | 17.985 | 0.001 | Refractive index | 13 | 1.340 | 0.001 | 0.572 | 0.327 | 5.336 | 0.041 |
|
|