Exploring QSAR for Antimalarial Activities and Drug Distribution within Blood of a Series of 4-Aminoquinoline Drugs Using Genetic-MLR

Table 1

Experimental and calculated antimalarial activity (log IC₅₀) for 3D7 and W2 strains.

Compounds^a	log (1/IC50) 3D7			log (1/IC50) W2
	Exp.	Pred.b	Res.c	Exp.	Pred.b	Res.c
1	−1.23	−1.15	−0.08	−2.58	−2.38	−0.20
2	−2.06	−1.89	−0.17	−2.43	−2.67	0.24
3	−1.79	−1.89	0.10	−2.46	−2.70	0.24
4	−1.71	−1.70	−0.01	−2.46	−2.13	−0.33
5	−1.16	−1.18	0.02	−1.24	−1.34	0.10
6	−1.32	−1.38	0.06	−1.54	−1.28	−0.26
7	−1.70	−1.69	−0.01	−1.70	−1.69	−0.01
8	−1.65	−1.59	−0.06	−1.85	−1.88	0.03
9	−0.30	−0.40	0.10	−0.48	−0.63	0.15
10	−1.80	−2.02	0.22	−1.82	−1.88	0.06
11	−0.70	−0.71	0.01	−0.97	−1.03	0.06
12	−0.78	−0.64	−0.14	−0.90	−0.69	−0.21
13	−0.87	−1.04	0.17	−1.04	−1.06	0.02
14	0.00	−0.31	0.31	−0.59	−0.69	0.10
15	−1.85	−1.73	−0.12	−2.00	−2.00	0.00
16	−0.91	−0.94	0.03	−1.90	−1.78	−0.12
17	−1.11	−1.13	0.02	−1.53	−1.71	0.18
18	−0.70	−0.69	−0.01	−1.08	−1.05	−0.03
19	−0.40	−0.24	−0.16	−0.75	−0.89	0.14
20	−1.11	−0.77	−0.34	−2.26	−2.05	−0.21
21	−0.67	−0.72	0.05	−1.66	−1.70	0.04

aNumber of compounds given in Figure 1.
bValues calculated by equations in Table 10.
cObserved minus calculated values.