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

Table 2

Experimental and calculated values for Blood-to-plasma concentration ratio (𝑅_𝑏).

Compounds^a	log 𝑅𝑏, 1 μM			log 𝑅𝑏, 10 μM
	Exp.	Pred.^b	Res.^c	Exp.	Pred.^b	Res.^c
1	0.58	0.54	0.04	0.61	0.63	−0.02
2	0.61	0.66	−0.05	1.33	1.27	0.06
3	0.79	0.80	−0.01	0.83	0.79	0.04
4	0.69	0.65	0.04	0.74	0.80	−0.06
5	0.41	0.48	−0.07	0.56	0.47	0.09
6	0.52	0.46	0.06	0.71	0.75	−0.04
7	0.51	0.52	−0.01	0.57	0.65	−0.08
8	0.76	0.70	0.06	0.73	0.67	0.06
9	0.19	0.18	0.01	0.41	0.33	0.08
10	0.50	0.46	0.04	0.39	0.55	−0.16
11	0.45	0.45	0.00	0.40	0.48	−0.08
12	0.48	0.46	0.02	0.28	0.14	0.14
13	0.30	0.28	0.02	0.28	0.31	−0.03
14	0.50	0.61	−0.11	0.39	0.61	−0.22
15	0.51	0.52	−0.01	0.53	0.55	−0.02
16	0.39	0.35	0.04	0.37	0.27	0.10
17	0.44	0.46	−0.02	0.35	0.39	−0.04
18	0.37	0.39	−0.02	0.33	0.33	0.00
19	0.71	0.70	0.01	0.52	0.44	0.08
20	0.76	0.70	0.06	0.94	0.74	0.20
21	0.42	0.49	−0.07	−0.04	0.06	−0.10

^aNumber of compounds given in Figure 1.
^bValues calculated by equations in Table 12.
^cObserved minus calculated values.