Predicting the bioactivity of 2-alkoxycarbonylallyl esters as potential antiproliferative agents against pancreatic cancer (MiaPaCa-2) cell lines: GFA-based QSAR and ELM-based models with molecular docking

Journal of Genetic Engineering and Biotechnology

Table 10 Comparison of the estimates of the developed models

S/N	Experimental activity (pIC₅₀)	QSAR predicted activity (pIC₅₀) (this work)	%error	ELM-Sine predicted activity (pIC₅₀) (this work)	% Error	ELM-Sig predicted activity (pIC₅₀) (this work)	% Error
1	4.9115	4.9067	0.0977	4.9385	0.5493	4.8448	1.3589
2	4.0000	4.0070	0.1750	3.9999	0.0019	3.9996	0.0106
5	4.4743	4.4012	1.6338	4.4120	1.3919	4.3969	1.7295
6	4.2248	4.3582	3.1575	4.3714	3.4692	4.3472	2.8982
7	4.5452	4.4373	2.3739	4.4601	1.8727	4.4277	2.5852
8	4.6548	4.6486	0.1332	4.6534	0.0291	4.6555	0.0148
9	4.3706	4.4557	1.9471	4.5178	3.3690	4.4533	1.8923
10	4.6185	4.5560	1.3533	4.5696	1.0597	4.5461	1.5679
11	4.5424	4.5056	0.8101	4.5379	0.0996	4.4983	0.9703
12	4.0000	3.8942	2.6450	3.9358	1.6052	3.9817	0.4565
13	4.1748	4.1651	0.2323	4.2014	0.6378	4.1751	0.0065
14	4.0000	3.9974	0.0650	4.0626	1.5646	4.0472	1.1800
15	4.0000	4.0032	0.0800	4.0157	0.3930	4.0405	1.0118
16	4.0000	3.9531	1.1725	3.9822	0.4460	3.9595	1.0130
17	4.1392	4.2393	2.4183	4.2094	1.6951	4.2496	2.6660
18	4.1395	3.9735	4.0101	3.9754	3.9637	4.0114	3.0952
19	4.1914	4.1859	0.1312	4.1513	0.9557	4.1897	0.0408
20	4.0000	3.7604	5.9900	3.9952	0.1190	4.0102	0.2543
21	4.8573	4.8269	0.6259	4.8418	0.3188	4.8159	0.8514
22	5.4750	5.5102	0.6429	5.4205	0.9955	5.4652	0.1781
23	5.3344	5.3283	0.1144	5.3572	0.4279	5.3681	0.6321
24	4.0786	4.0943	0.3849	4.0783	0.0063	4.1023	0.5817
25	4.0232	4.0193	0.0969	4.1032	1.9879	4.0618	0.9585
26	4.1232	4.1841	1.4770	4.1819	1.4232	4.1691	1.1120
MAPD			1.3237		1.1826		1.1277