Research Article
QSPR Modeling of Fungicides Using Topological Descriptors
Table 11
Statistical parameters used in QSPR model for H(G).
| Physiochemical property | N | A | b | r | r2 | F | |
| Solubility in water | 11 | 170.472 | −8.336 | 0.063 | 0.004 | 0.035 | 0.855 | Boiling point | 13 | 339.625 | 14.367 | 0.274 | 0.075 | 0.891 | 0.365 | Density | 13 | 0.636 | 0.069 | 0.615 | 0.378 | 6.693 | 0.025 | Melting point | 13 | 125.068 | −2.332 | 0.038 | 0.001 | 0.016 | 0.901 | Molar mass | 13 | 136.206 | 18.255 | 0.695 | 0.483 | 10.290 | 0.008 | Flash point | 13 | 159.276 | 8.682 | 0.274 | 0.075 | 0.891 | 0.365 | Topological polar surface area | 13 | 22.495 | 3.446 | 0.187 | 0.035 | 0.397 | 0.542 | Heavy atom count | 13 | 3.821 | 1.806 | 0.972 | 0.946 | 190.910 | 0.000 | Complexity | 13 | −29.312 | 40.254 | 0.640 | 0.409 | 7.625 | 0.019 | Refractive index | 13 | 1.428 | 0.019 | 0.332 | 0.110 | 1.365 | 0.267 |
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