3D-QSAR Study of the Chalcone Derivatives as Anticancer Agents

Table 5

Anticancer activity (pIC₅₀) of compounds in the training set and the test set for the final CoMFA and CoMSIA models.

No	pIC50 (obs)	pIC50 (pred)
		CoMFA-ES	Residu	CoMSIA-SHA	Residu
1	5.89	5.79	0.10	5.76	0.13
2	5.65	5.71	0.06	5.61	0.04
3	5.77	5.80	0.03	5.77	0.00
4	5.80	5.79	0.01	5.80	0.00
5	5.65	5.65	0.00	5.70	0.05
6	5.72	5.77	0.05	5.76	0.04
7	5.84	5.65	0.19	5.52	0.32
8	5.77	5.79	0.02	5.78	0.01
9	5.43	5.41	0.02	5.44	0.01
10	5.31	5.31	0.00	5.30	0.01
11	5.78	5.79	0.01	5.81	0.03
12	5.80	5.78	0.02	5.80	0.00
13	6.00	6.05	0.05	6.05	0.05
14	6.13	6.18	0.05	6.11	0.02
15	5.70	5.91	0.21	5.99	0.29
16	6.02	5.94	0.08	6.03	0.01
17	6.22	6.17	0.05	6.09	0.15
18	5.70	5.81	0.11	6.01	0.31
19	5.91	5.88	0.03	6.02	0.11

Test.