QSPR Modeling of Fungicides Using Topological Descriptors

Table 7

Statistical parameters used in QSPR model for M₁(G).

Physiochemical property	N	A	b	r	r^2	F
Solubility in water	11	−9.471	0.920	0.098	0.010	0.087	0.775
Boiling point	13	370.704	0.975	0.237	0.056	0.656	0.435
Density	13	0.677	0.006	0.644	0.415	7.806	0.017
Melting point	13	42.770	0.535	0.112	0.013	0.140	0.716
Molar mass	13	141.046	1.549	0.754	0.568	14.480	0.003
Flash point	13	178.030	0.589	0.237	0.056	0.657	0.435
Topological polar surface area	13	15.411	0.364	0.252	0.064	0.746	0.406
Heavy atom count	13	6.361	0.135	0.927	0.860	67.373	0.000
Complexity	13	−50.995	3.707	0.753	0.567	14.383	0.003
Refractive index	13	1.355	0.002	0.517	0.267	4.010	0.070