Research Article
QSPR Modeling of Fungicides Using Topological Descriptors
Table 9
Statistical parameters used in QSPR model for M2(G).
| Physiochemical property | N | A | b | r | r2 | F | |
| Solubility in water | 11 | ā20.127 | 0.868 | 0.142 | 0.020 | 0.185 | 0.677 | Boiling point | 13 | 402.839 | 0.585 | 0.203 | 0.041 | 0.473 | 0.506 | Density | 13 | 0.786 | 0.004 | 0.648 | 0.420 | 7.959 | 0.017 | Melting point | 13 | 48.750 | 0.410 | 0.122 | 0.015 | 0.167 | 0.690 | Molar mass | 13 | 172.188 | 1.083 | 0.751 | 0.564 | 14.214 | 0.003 | Flash point | 13 | 197.430 | 0.354 | 0.203 | 0.041 | 0.474 | 0.505 | Topological polar surface area | 13 | 28.830 | 0.208 | 0.205 | 0.042 | 0.482 | 0.502 | Heavy atom count | 13 | 9.699 | 0.089 | 0.876 | 0.768 | 36.388 | 0.000 | Complexity | 13 | 7.449 | 2.714 | 0.785 | 0.617 | 17.696 | 0.001 | Refractive index | 13 | 1.373 | 0.002 | 0.584 | 0.342 | 5.706 | 0.036 |
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