Table 3.

The best nonlinear seven descriptors selected using BML method for predicted compound (PTC) analogue training set (R² = 0.8579, R²_cv = 0.7196, F = 21.13, R² − R²_cv = 0.1383).

Descriptor	Symbol	t-Test	X	ΔX
Min partial charge for a C atom (Zefirov’s PC)	$Q_i$	5.8487	4.8595 × 102	8.3087 × 10
Min valency of an H atom	$V_h$	7.1708	1.9708 × 10	2.7483 × 100
Max bond order of a C atom	$E_c$	4.3256	7.0647 × 100	1.6332 × 100
Molecular surface area	$E_{nn}$	2.4697	4.0917 × 10−3	1.6568 × 10−3
Intercept		−4.4980	−1.6475 × 10	3.6628 × 100