QSAR Study of Anthra[1,9-cd]pyrazol-6(2H)-one Derivatives as Potential Anticancer Agents Using Statistical Methods

Table 3

Comparison between activities observed and predicted of statistically significant models obtained by 2D models training set.

Comp.	PIC50	Pred. (PIC50) RLM	Residu.	CV	Comp.	PIC50	Pred. (PIC50) RNLM	Residu.	Comp.	PIC50	Pred. (PIC50) PLS	Residu.	Comp.	PIC50	Y-rd
1	1,258	1,183	0,075	1,36	1	1,258	1,192	0,066	1	1,258	1,242	0,016	20	1,49	1,39
2	1,251	1,318	−0,067	1,32	3	1,491	1,363	0,128	2	1,251	1,390	−0,139	2	1,25	1,34
4	1,000	1,017	−0,018	0,98	4	1,000	1,089	−0,089	3	1,491	1,305	0,186	4	1	1,19
6	1,109	1,215	−0,106	1,11	5	1,340	1,175	0,165	5	1,340	1,228	0,112	30	1,51	1,38
7	1,200	1,247	−0,047	1,22	6	1,109	1,220	−0,111	6	1,109	1,268	−0,160	7	1,2	1,26
9	1,160	1,398	−0,238	1,31	8	1,302	1,352	−0,050	7	1,200	1,313	−0,113	10	1,39	1,4
10	1,386	1,318	0,068	1,39	9	1,160	1,298	−0,137	8	1,302	1,350	−0,048	6	1,11	1,11
11	1,556	1,395	0,161	1,23	10	1,386	1,478	−0,092	10	1,386	1,390	−0,005	12	0,95	1
12	0,946	1,173	−0,227	1	12	0,946	1,116	−0,170	11	1,556	1,485	0,072	31	1,5	1,48
13	1,505	1,411	0,094	1,41	13	1,505	1,422	0,083	14	1,531	1,384	0,147	25	1,27	1,24
14	1,531	1,379	0,153	1,37	14	1,531	1,387	0,145	15	0,926	0,895	0,031	16	0,74	0,89
16	0,740	0,660	0,079	1	15	0,926	0,858	0,068	17	1,137	1,176	−0,039	18	1,46	1,47
18	1,455	1,503	−0,048	1,44	16	0,740	0,805	−0,066	19	1,484	1,476	0,008	19	1,48	1,47
19	1,484	1,422	0,062	1,43	18	1,455	1,557	−0,102	20	1,486	1,488	−0,002	11	1,56	1,28
20	1,486	1,480	0,005	1,44	19	1,484	1,484	0,001	21	1,489	1,457	0,031	26	1,52	1,46
21	1,489	1,475	0,013	1,46	20	1,486	1,508	−0,023	22	1,490	1,368	0,122	22	1,49	1,43
22	1,490	1,341	0,149	1,43	21	1,489	1,496	−0,007	23	1,346	1,390	−0,044	24	1,25	1,42
24	1,254	1,387	−0,133	1,41	22	1,490	1,345	0,144	24	1,254	1,394	−0,140	29	1,32	1,33
25	1,272	1,289	−0,017	1,3	23	1,346	1,305	0,040	25	1,272	1,338	−0,067	13	1,51	1,41
26	1,519	1,404	0,115	1,47	26	1,519	1,441	0,077	26	1,519	1,437	0,081	1	1,26	1,25
28	1,493	1,486	0,006	1,43	27	1,487	1,432	0,055	27	1,487	1,505	−0,017	9	1,16	1,29
29	1,324	1,387	−0,063	1,31	28	1,493	1,518	−0,025	28	1,493	1,488	0,004	14	1,53	1,38
30	1,505	1,514	−0,009	1,43	30	1,505	1,615	−0,110	29	1,324	1,374	−0,050	21	1,49	1,3
31	1,504	1,512	−0,008	1,48	32	1,497	1,488	0,009	31	1,504	1,490	0,014	28	1,49	1,45