Table 4 Selected descriptors used in the 2-D QSAR model

1

AATS8p

Average Moreau–Broto autocorrelation of lag 8 weighted by polarizability

2-D

2

ATSC3c

Centered Moreau–Broto autocorrelation of lag 3 weighted by Gasteiger charge

2-D

3

VR1_Dzv

Randic-like eigenvector-based index from Barysz matrix weighted by vdw volume

2-D

4

SpMin8_Bhv

Smallest eigenvalue n. 8 of Burden matrix weighted by van der Waals volume

2-D

5

MDEC-22

Molecular distance edge between secondary C and Secondary C

2-D