Research Article
QSPR Modeling of Fungicides Using Topological Descriptors
Table 12
Standard error of estimate.
| Topological indices | Standard error of estimate | Solubility in water | Boiling point | Density | Melting point | Molar Mass | Flash point | Topological polar surface area | Heavy atom count | Complexity | Refractive index |
| ABC(G) | 90.3417 | 42.7913 | 0.075526 | 51.3723 | 15.38515 | 25.8647 | 15.0241 | 0.425 | 38.783 | 0.044068 | RA(G) | 90.1415 | 42.5820 | 0.076173 | 51.5652 | 15.58503 | 25.7384 | 15.1681 | 0.308 | 40.682 | 0.045658 | M1(G) | 89.9110 | 43.0604 | 0.072886 | 51.2414 | 14.57363 | 26.0265 | 15.0952 | 0.588 | 34.984 | 0.041146 | M2(G) | 89.4259 | 43.4031 | 0.072591 | 51.1779 | 14.65046 | 26.2331 | 15.2673 | 0.756 | 32.902 | 0.039002 | HM(G) | 88.9703 | 43.3450 | 0.073716 | 50.8925 | 14.10078 | 26.1981 | 15.0522 | 0.774 | 32.215 | 0.038999 | H(G) | 90.1651 | 42.6330 | 0.075143 | 51.5279 | 15.94348 | 25.7689 | 15.3246 | 0.366 | 40.841 | 0.045334 | SCI(G) | 90.3127 | 42.7115 | 0.074144 | 51.5640 | 15.58663 | 25.8162 | 15.2560 | 0.361 | 39.401 | 0.044396 | F(G) | 88.4891 | 43.3293 | 0.075867 | 50.5571 | 13.98699 | 26.1888 | 14.8049 | 0.841 | 32.738 | 0.039441 | GA(G) | 90.3398 | 42.8683 | 0.072862 | 51.5548 | 15.61538 | 25.9106 | 15.3196 | 0.456 | 38.327 | 0.043184 |
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