Table 2.

Definitions of molecular descriptors present in the MLR and GA-PLS models

Descriptors	Brief description
GATS7v	Geary autocorrelation - lag 7 / weighted by atomic van der Waals volumes
GATS4p	Geary autocorrelation - lag 4 / weighted by atomic polarizabilities
ATS7v	Broto-Moreau autocorrelation of a topological structure - lag 7 / weighted by atomic van der Waals volumes
GATS8v	Geary autocorrelation - lag 8 / weighted by atomic van der Waals volumes
MATS7p	Moran autocorrelation - lag 7 / weighted by atomic polarizabilities
GATS8e	Geary autocorrelation - lag 8 / weighted by atomic Sanderson electronegativities
X4A	average connectivity index of order 4 Connectivity indices
PCR	ratio of multiple path count over path coun Walk and path counts
C-024	R--CR—R
STN	Sum of tN E-states Atom-type E-state indices
TIE	E-state topological parameter Topological indices