From: In silico modeling of tetraoxane-8-aminoquinoline hybrids active against Plasmodium falciparum
Compounds | Experimental activity (pEC50) | Predicted activity (pEC50) | Residual |
---|---|---|---|
1a | 6.690370 | 6.809850 | − 0.119480 |
2 | 7.244125 | 7.141499 | 0.102626 |
3 | 7.124939 | 7.269416 | − 0.144477 |
4a | 7.214670 | 6.957825 | 0.256845 |
5 | 7.221849 | 7.266572 | − 0.044723 |
6a | 6.850781 | 7.158224 | − 0.307440 |
7 | 7.119186 | 7.053930 | 0.065256 |
8a | 7.346787 | 6.709780 | 0.637008 |
9 | 7.795880 | 7.855448 | − 0.059568 |
10 | 7.823909 | 7.862578 | − 0.038669 |
11 | 7.823909 | 7.842876 | − 0.018967 |
12 | 7.769551 | 7.624906 | 0.144645 |
13 | 7.036212 | 7.242101 | − 0.205889 |
14 | 7.004365 | 6.868879 | 0.135485 |
15 | 7.721246 | 7.645882 | 0.075365 |
16 | 6.754487 | 6.681501 | 0.072986 |
17a | 6.920819 | 6.671336 | 0.249482 |
18 | 7.091515 | 7.064604 | 0.026911 |
19 | 6.542118 | 6.574618 | − 0.032500 |
20 | 6.038105 | 6.116586 | − 0.078482 |
21a | 5.377786 | 6.057060 | − 0.679270 |
22a | 5.246417 | 5.781937 | − 0.535520 |