Table 1. Selected descriptors in QSAR modeling.

Descriptor symbol	QSAR model	Descriptor range	Description
naccr	DTF	0.00–14.00	Number of H-bond acceptors
S35	DTF	0.00–70.15	Sum of E-state of atom type: dO
S36	DTF, DTB	0.00–63.67	Sum of E-state of atom type: ssO
Smax	DTF, DTB	2.23–15.07	The maximal E-state value in all atoms
Smin	DTF, DTB	[–5.71]–1.59	The minimal E-state value in all atoms
TPSA	DTB, DTF	0.00–221.31	Topological polarity surface area