QSPR study on the octanol/air partition coefficient of polybrominated diphenyl ethers by using molecular distance-edge vector index

Table 2 Experimental and predicted lg K _OA of the investigated PBDEs

No.	Experimental lgK_OA	Predicted lgK_OA		Relative error (%)
No.	Experimental lgK_OA	MLR	ANN	MLR	ANN
1	7.24	7.56	7.45	4.42	3.59
2*	7.36	7.38	7.40	0.27	0.54
3	8.37	8.43	8.43	0.72	0.36
4	8.47	8.46	8.45	−0.12	−0.12
5	8.12	8.54	8.50	5.17	5.05
6*	8.55	8.40	8.35	−1.75	−2.34
7	8.57	8.39	8.41	−2.10	−1.63
8	8.64	8.35	8.39	−3.36	−3.01
9	9.49	9.22	9.33	−2.85	−2.42
10*	9.02	9.53	9.44	5.65	4.66
11	9.28	9.54	9.49	2.80	2.26
12	9.61	9.34	9.37	−2.81	−2.81
13	9.68	9.32	9.35	−3.72	−3.82
14*	10.34	10.41	10.44	0.68	0.97
15	10.49	10.34	10.37	−1.43	−1.05
16	10.23	10.45	10.43	2.15	1.96
17	10.13	10.47	10.42	3.36	2.96
18*	10.7	10.27	10.30	−4.02	−3.74
19	11.14	11.38	11.29	2.15	2.15
20	11.28	11.35	11.36	0.62	0.27
21	11.52	11.28	11.35	−2.08	−1.39
22*	12.15	12.23	12.26	0.66	0.91

ISSN: 2661-801X