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

Table 7

Observed and predicted values of activity for Equations (5), (6), and (15).

Compound	p𝐾i (5)			p𝐷2 (6)			p𝐴2 (15)
	Observed	Predicted	Residual	Observed	Predicted	Residual	Observed	Predicted	Residual
1	—	—	—	7.97	7.26	0.71	5.10	4.78	0.32
2	7.60	7.30	0.30	7.99	8.04	−0.05	7.30	7.19	0.11
3	7.00	7.39	−0.39	7.88	8.11	−0.23	6.90	6.29	0.61
4	7.90	8.02	−0.12	8.04	7.85	0.19	5.70	6.64	−0.94
5	6.00	6.93	−0.93	—	—	—	7.50	7.53	−0.03
6	9.90	8.46	1.44	8.16	8.41	−0.25	6.69	7.43	−0.74
7	8.10	8.29	−0.19	8.10	7.83	0.27	7.20	7.34	−0.14
8	8.40	8.62	−0.22	—	—	—	6.60	6.23	0.37
9	8.22	8.55	−0.33	—	—	—	8.73	8.45	0.28
10	7.40	7.39	0.01	—	—	—	8.79	7.94	0.85
11	9.70	9.90	−0.20	8.09	7.62	0.47	7.50	8.12	−0.62
12	7.40	7.31	0.09	—	—	—	9.20	8.66	0.54
13	8.40	8.10	0.30	6.88	7.41	−0.53	7.99	8.10	−0.11
14	7.70	7.61	0.09	7.70	7.85	−0.15	6.35	6.93	−0.58
15	6.60	6.69	−0.09	5.80	6.05	−0.25	—	—	—
16	6.40	6.57	−0.17	6.30	6.31	−0.01	—	—	—
17	6.60	6.45	0.15	6.20	6.21	−0.01	—	—	—
18	7.40	7.45	−0.05	7.60	7.77	−0.17	7.30	6.86	0.44
19	6.40	5.89	0.51	—	—	—	—	—	—
20	7.50	7.70	−0.20	—	—	—	6.08	6.43	−0.35