Development and Validation of Quantitative Structure-Activity Relationship Models for Compounds Acting on Serotoninergic Receptors

Table 6

Correlation matrix of the biological activity (p𝐾_i, p𝐴₂ and p𝐷₂) and molecular descriptors used in (A) ((5) and (15)) and (B) (6).

	C-S4	C-S5	C-S6	Δ𝐻F	log P	HD	p𝐴2	p𝐾i
(A)
C-S4	1.00
C-S5	−0.10	1.00
C-S6	0.62	0.08	1.00
Δ𝐻F	0.10	0.22	0.34	1.00
log P	0.21	−0.20	0.02	−0.35	1.00
HD	−0.12	−0.07	−0.46	−0.54	0.16	1.00
p𝐴2	0.48	−0.10	0.62	0.60	0.23	−0.29	1.00
p𝐾i	−0.33	0.57	0.02	0.11	0.22	−0.39	−0.11	1.00
	C-S4	C-S5	p𝐷2
(B)
C-S4	1.00
C-S5	0.48	1.00
p𝐷2	−0.81	−0.03	1.00