Prediction of Gas Chromatography-Mass Spectrometry Retention Times of Pesticide Residues by Chemometrics Methods

Table 2

Specifications of the selected multiple linear regression model.

Descriptor	Notation	Coefficient	Mean effect
Number of nitrogen atoms	𝑛N	0.980 (±0.123)	0.091
Solvation connectivity index-Chi1	χ1sol	2.191 (±0.125)	1.467
Balaban 𝑌 index	𝑌 index	−4.639 (±0.401)	−0.421
Moran autocorrelation-lag 2/weighted by atomic sanderson electronegativity	MATS2e	−7.386 (±1.022)	−0.104
Total absolute charge (electronic charge index—ECI)	Qtot	0.499 (±0.084)	0.211
Radial Distribution-6.0/unweighted	RDF060u	−0.156 (±0.025)	−0.140
Constant		7.045 (±1.346)

𝑁=256, 𝐹=240, 𝑅=0.925, SE=2.456.