QSPR Modeling of Fungicides Using Topological Descriptors

Table 9

Statistical parameters used in QSPR model for M₂(G).

Physiochemical property	N	A	b	r	r^2	F
Solubility in water	11	−20.127	0.868	0.142	0.020	0.185	0.677
Boiling point	13	402.839	0.585	0.203	0.041	0.473	0.506
Density	13	0.786	0.004	0.648	0.420	7.959	0.017
Melting point	13	48.750	0.410	0.122	0.015	0.167	0.690
Molar mass	13	172.188	1.083	0.751	0.564	14.214	0.003
Flash point	13	197.430	0.354	0.203	0.041	0.474	0.505
Topological polar surface area	13	28.830	0.208	0.205	0.042	0.482	0.502
Heavy atom count	13	9.699	0.089	0.876	0.768	36.388	0.000
Complexity	13	7.449	2.714	0.785	0.617	17.696	0.001
Refractive index	13	1.373	0.002	0.584	0.342	5.706	0.036