QSPR Modeling of Fungicides Using Topological Descriptors

Table 5

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

Physiochemical property	N	A	b	r	r^2	F
Solubility in water	11	122.660	−3.065	0.026	0.001	0.006	0.940
Boiling point	13	344.671	12.804	0.267	0.072	0.848	0.377
Density	13	0.631	0.065	0.628	0.395	7.173	0.021
Melting point	13	97.816	0.435	0.008	0.000	0.001	0.980
Molar mass	13	134.489	17.041	0.711	0.506	11.276	0.006
Flash point	13	162.321	7.738	0.267	0.072	0.847	0.377
Topological polar surface area	13	19.082	3.511	0.208	0.043	0.499	0.494
Heavy atom count	13	4.041	1.649	0.973	0.947	197.308	0.000
Complexity	13	−42.909	38.510	0.671	0.450	9.011	0.012
Refractive index	13	1.403	0.020	0.383	0.147	1.893	0.196