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