№	Descriptor	Training set			Test set
		n	Q2	ssv	n	R2	s
1	DPSA2	5957	0.500	0.48	1504	0.513	0.45
2	PPSA2	5984	0.499	0.49	1506	0.504	0.47
3	FPSA2	5919	0.500	0.49	1504	0.509	0.47
4	V	5941	0.484	0.49	1504	0.496	0.47
5	PPSA1	5939	0.496	0.49	1502	0.498	0.48
6	WPSA3	5899	0.484	0.49	1502	0.506	0.47
7	Volume	5961	0.477	0.49	1518	0.497	0.46
8	MolVolume	5954	0.476	0.49	1517	0.496	0.46

Note. n – number of compounds; R² – linear correlation coefficient; s – standard deviation; Q²–leave-one-out linear correlation coefficient; s_cv - leave-one-out standard deviation; DPSA2=PPSA2–PNSA2, PPSA2 – partial positive surface area weighted on the basis of the total charge; PNSA2 – partial negative surface area weighted on the basis of the total charge; FPSA2=PPSA2/A_total, A_total - total molecular surface area; V – molecular volume represents the water-excluded volume; PPSA1 – partial positive surface area; WPSA3=PPSA3*A_total/1000, PPSA3 - partial positive surface area weighted on the basis of atomic charges; Volume, MolVolume–molecular volumes