Organic Compounds Based on (E)-N-Aryl-2-ethene-sulfonamide as Microtubule Targeted Agents in Prostate Cancer: QSAR Study

Table 3

Comparison between the observed and predicted activities of statistically significant models obtained by 3D models training set.

Compound	pIC50	pIC50	pIC50	pIC50	COMP	pIC50	pIC50	Compound	pIC50	pIC50
		MLR	ANN	CV			Y-R			RNLM
1	5.000	4.819	4.9718	5.03	3	5	4.78	1	5.000	5.016
2	4.700	4.931	4.8771	4.96	10	6.7	5.64	2	4.700	4.965
3	5.000	4.435	4.8861	5.13	9	4.46	4.51	3	5.000	4.221
4	5.000	5.296	5.1855	5.09	8	5.12	5.16	4	5.000	5.156
5	5.300	5.582	5.3373	5.33	11	5	4.66	5	5.300	5.526
7	6.430	5.696	5.6839	5.92	13	7.52	6.61	6	4.820	5.647
8	6.700	5.433	5.9661	5.34	16	4.12	4.36	7	6.430	5.620
9	4.460	5.191	4.6112	4.79	17	4.46	4.52	9	4.460	4.943
10	5.120	5.658	6.1726	5.71	18	4	4.06	10	5.120	5.616
11	5.000	5.449	4.9940	4.66	23	5	4.82	12	4.120	4.503
13	7.520	6.132	7.3923	6.61	27	5	5.02	13	7.520	6.849
16	4.120	5.580	4.1307	4.36	28	4	3.72	17	4.460	3.758
17	4.460	4.259	4.3915	4.52	29	4.12	4.22	18	4.000	4.323
18	4.000	4.858	3.7573	4.04	30	4	3.99	22	5.000	4.539
23	5.000	5.332	5.2075	4.52	31	4.46	4.57	23	5.000	5.199
25	5.600	4.798	5.7078	5.33	33	6.46	6.49	26	5.300	5.373
26	5.300	5.543	5.4727	5.34	34	7	6.99	27	5.000	4.389
27	5.000	4.667	5.0062	5.02	35	6.7	7.19	28	4.000	4.513
28	4.000	4.489	4.2127	3.72	36	5.6	5.59	29	4.120	4.160
29	4.120	4.293	4.0668	4.3	42	7.12	6.97	30	4.000	4.622
30	4.000	3.948	3.9026	3.99	45	6.6	6.49	31	4.460	4.249
31	4.460	4.398	4.5080	4.64	1	5	5.02	32	4.460	4.435
32	4.460	4.256	4.4046	4.28	4	5	5.09	34	7.000	6.324
33	6.460	5.744	6.5096	6.54	5	5.3	5.45	35	6.700	6.696
34	7.000	6.657	6.7798	6.99	7	6.43	6.04	36	5.600	5.766
35	6.700	7.084	6.9139	6.84	25	5.6	5.33	37	5.600	5.432
36	5.600	6.161	5.5838	5.53	26	5.3	5.34	38	5.120	5.451
38	5.120	6.258	5.1458	5	2	4.7	4.93	39	6.400	6.301
40	7.400	6.802	7.0403	7.58	38	5.12	5	40	7.400	7.544
41	7.150	7.429	7.0397	7.15	40	7.4	6.95	42	7.120	6.970
42	7.120	6.272	7.0239	7.2	41	7.15	7.58	43	7.120	6.984
45	6.600	6.452	7.0172	6.46	32	4.46	4.28	45	6.600	6.840