Research Article
QSPR Modeling of Fungicides Using Topological Descriptors
Table 6
Statistical parameters used in QSPR model for GA(G).
| Physiochemical property | N | A | b | r | r2 | F | |
| Solubility in water | 11 | 83.186 | 0.365 | 0.007 | 0.000 | 0.000 | 0.983 | Boiling point | 13 | 361.053 | 5.359 | 0.254 | 0.065 | 0.761 | 0.402 | Density | 13 | 0.667 | 0.029 | 0.645 | 0.415 | 7.818 | 0.017 | Melting point | 13 | 91.378 | 0.499 | 0.020 | 0.000 | 0.005 | 0.947 | Molar mass | 13 | 148.492 | 7.486 | 0.710 | 0.504 | 11.194 | 0.007 | Flash point | 13 | 172.207 | 3.239 | 0.254 | 0.065 | 0.761 | 0.402 | Topological polar surface area | 13 | 25.199 | 1.396 | 0.188 | 0.035 | 0.404 | 0.538 | Heavy atom count | 13 | 5.637 | 0.713 | 0.957 | 0.915 | 119.159 | 0.000 | Complexity | 13 | ā24.023 | 17.495 | 0.693 | 0.480 | 10.149 | 0.009 | Refractive index | 13 | 1.390 | 0.010 | 0.439 | 0.193 | 2.627 | 0.133 |
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