Research Article
QSPR Modeling of Fungicides Using Topological Descriptors
Table 1
The TIs values of candidate drugs.
| Names of drug | ABC(G) | RA(G) | M1(G) | M2(G) | HM(G) | H(G) | SCI(G) | F(G) | GA(G) |
| Paclobutrazol | 15.40229 | 9.376029 | 102 | 116 | 508 | 8.852381 | 9.613811 | 276 | 19.96016 | Tebuconazole | 16.20668 | 9.800443 | 108 | 123 | 548 | 9.216667 | 10.03661 | 302 | 20.79001 | Flutriafol | 17.1846 | 10.59317 | 116 | 137 | 580 | 10.2381 | 11.04456 | 306 | 23.27251 | Myclobutanil | 14.34883 | 9.137977 | 94 | 107 | 458 | 8.819048 | 9.34952 | 244 | 19.34277 | Propiconazole | 17.08729 | 10.62696 | 116 | 137 | 580 | 10.28571 | 11.06044 | 306 | 23.29099 | Prothioconazole | 16.62446 | 9.935071 | 116 | 140 | 608 | 9.45 | 10.38075 | 328 | 21.98206 | Epoxiconazole | 17.63074 | 10.71518 | 124 | 154 | 640 | 10.45714 | 11.38356 | 332 | 24.46225 | Triadimefon | 15.40229 | 9.376029 | 102 | 116 | 508 | 8.852381 | 9.613811 | 276 | 19.96016 | Cyproconazole | 15.77039 | 9.593172 | 108 | 129 | 548 | 9.238095 | 10.04456 | 290 | 21.27251 | Flusilazole | 17.22504 | 10.57634 | 116 | 136 | 578 | 10.20476 | 11.03074 | 306 | 23.2321 | Hexaconazole | 15.12489 | 9.548661 | 100 | 115 | 494 | 9.152381 | 9.757768 | 264 | 20.20879 | Flucanozole | 17.24621 | 10.5663 | 116 | 135 | 576 | 10.18571 | 11.02206 | 306 | 23.20537 | Voriconazole | 19.48426 | 11.98945 | 131 | 154 | 657 | 11.47143 | 12.40002 | 349 | 25.98436 |
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