Table 3.

The observed and calculated pFAR values using the developed QSAR equation with associated residuals.

Compound no.	Observed pFAR	Predicted pFAR	Residual
1	−1.26	−1.20	−0.06
2	−1.67	−1.54	−0.13
3	−0.49	−0.63	0.14
4	−0.48	−0.34	−0.13
5	−0.45	−0.52	0.07
6	−1.46	−1.39	−0.07
7	−0.46	−0.47	0.01
8	−0.45	−0.42	−0.03
9	−0.36	−0.16	−0.20
10	−1.16	−1.38	0.22
11	−0.18	−0.27	0.09
12	−0.69	−0.60	−0.09
13	0.22	0.12	0.10
14	0.15	0.03	0.12
15	0.15	−0.09	0.25
16	0.10	0.32	−0.22
17	0.30	0.21	0.10
18	0.22	0.25	−0.03
19	0.10	0.30	−0.20
20	−0.38	−0.34	−0.04
21	−1.56	−1.34	−0.22
22	0.01	−0.44	0.45
23	0.24	0.36	−0.13