QSPR Modeling of Fungicides Using Topological Descriptors

Table 3

Statistical parameters used in QSPR model for ABC(G).

Physiochemical property	N	A	b	r	r^2	F
Solubility in water	11	86.314	0.295	0.004	0.000	0.000	0.992
Boiling point	13	343.135	8.246	0.261	0.068	0.804	0.389
Density	13	0.626	0.041	0.610	0.372	6.514	0.027
Melting point	13	49.859	3.180	0.087	0.007	0.083	0.779
Molar mass	13	125.565	11.392	0.720	0.519	11.863	0.005
Flash point	13	161.403	4.983	0.261	0.068	0.803	0.389
Topological polar surface area	13	6.608	2.991	0.269	0.072	0.857	0.374
Heavy atom count	13	3.597	1.077	0.963	0.927	139.079	0.000
Complexity	13	−65.744	25.904	0.684	0.467	9.654	0.010
Refractive index	13	1.386	0.014	0.399	0.159	2.086	0.177