Table 1. Chemical structures, experimental and predicted pIC₅₀ values of coumarin analogs used in this study which data collected from Cao et al for model construction and absolute percentage errors for the developed models .

Compound	R 1	R 2	pIC 50 (Exp.)	pIC 50 (Pred.)	APE (Eq. 6)	APE (Eq. 7)
1	OCH3	OH	6.406	6.340	1.021	0.431
2*	H	O-C(O)CH3	7.833	8.054	4.818	2.529
3	H	O-C(O)CHCH2	7.504	7.866	1.657	0.724
4	H	O-C(O)C(CH3)3	8.167	8.032	3.726	4.489
5	H	O-C(O)CH2Cl	8.119	7.817	3.254	3.073
6	H	O-C(O)CH2Br	7.963	7.703	0.051	0.556
7*	H	O-C(O)CH2CH3	7.889	7.615	9.305	9.618
8	H	O-C(O)(CH2)3 CH3	7.456	7.452	0.056	0.875
9	H	O-C(O)C(CH2)CH3	7.221	7.893	0.057	0.344
10	H	O-C(O)CHC(CH3)2	7.676	7.680	3.746	5.386
11	H	O-C(O)CHCHCH3	7.845	7.849	3.092	0.027
12	H	O-C(O)CCH2CH2C	7.407	7.684	0.775	1.126
13*	H	O-C(O)CH2CH2C(O)(O)CH2CH3	7.168	7.690	0.114	2.433
14	H	O-C(O)(CH2)4CH3	7.087	7.306	0.198	2.809
15	H	O-C(O)(CH2)8CH3	6.612	6.560	5.313	4.060
16	H	O-C(O)(CH2)3C(O)(O)CH3	7.565	7.557	5.367	3.592
17	H	O-C(O)(CH2)3 CH2Cl	7.442	7.428	0.113	2.529
18*	H	O-C(O)CH2C(CH3)3	7.140	7.209	1.088	1.399
19*	H	O-C(O)(CH2)2 CHCH2	7.629	7.509	9.202	7.212
20	H	O-C(O)C(CH3)CHCH2CH3	8.056	7.628	0.486	5.691
21	H	O-C(O)CHCH(CH2)3	7.991	7.562	12.410	8.225
22	H	NH2	8.481	8.491	2.825	2.086
23	H	HN-C(O)CH2CH2C(O)(O)CH2CH3	7.529	7.611	3.482	6.674
24	H	HN-C(O)(CH2)3C(O)(O)CH3	8.018	7.280	7.279	2.640
25*	H	HN-C(O)(CH2)4CH3	7.318	7.196	0.958	0.004
26	H	HN-C(O)(CH2)8CH3	6.543	6.574	1.569	5.705
27*	H	HN-C(O)(CH2)3 CH2Cl	7.564	7.303	1.659	1.358
28*	H	HN-C(O)CHCHCH3	7.676	7.596	3.452	0.591
29*	H	HN-C(O)(CH2)2 CHCH2	7.582	7.541	1.033	3.408
30	H	HN-C(O)C(CH3)CHCH2CH3	6.233	7.006	0.543	3.393
31*	H	OH	8.523	8.443	0.940	3.897

* Test set.