Table 3.

The intercorrelations between the 11 selected features (descriptors) and the activity presented in pIC₅₀ for the studied compounds^a.

	x 1	x 2	x 3	x 4	x 5	x 6	x 7	x 8	x 9	x 10	x 11
pIC50	−0.32	0.2	−0.22	−0.25	−0.33	0.11	−0.02	0.19	0.24	−0.22	0.39
x 1	1
x 2	−0.08	1
x 3	0.33	−0.01	1
x 4	0.11	−0.11	−0.1	1
x 5	0.56	−0.12	0.34	0.43	1
x 6	0.11	0.18	0.29	−0.01	0.5	1
x 7	−0.28	0.26	0	−0.2	−0.13	0.43	1
x 8	−0.12	−0.21	0.05	0.04	0.26	0.63	0.05	1
x 9	−0.11	−0.03	−0.02	0.37	0.07	−0.02	0.06	−0.01	1
x 10	0.49	−0.04	0.52	0.29	0.93	0.68	−0.07	0.39	0.06	1
x 11	−0.43	0.2	−0.12	−0.35	−0.52	−0.25	0.09	−0.07	−0.06	−0.47	1

^aDescriptors used are

x ₁: Complementary information content (CIC) (fast descriptors).

x ₂: Estate keys (sums): S_ssCH2 (fast descriptors).

x ₃: Estate keys (sums): S_aasC (fast descriptors).

x ₄: Estate keys (sums): S_dO (fast descriptors).

x ₅: Principal moment of inertia X (spatial descriptors).

x ₆: Shadow area: ZX plane (spatial descriptors).

x ₇: Shadow area fraction: YZ plane (spatial descriptors).

x ₈: Shadow ratio (spatial descriptors).

x ₉: Dipole moment Z (spatial descriptors).

x ₁₀: SASA (jurs descriptors).

x ₁₁: RPCS (jurs descriptors).