Research Article
Exploring QSAR for Antimalarial Activities and Drug Distribution within Blood of a Series of 4-Aminoquinoline Drugs Using Genetic-MLR
Table 5
Data of the selected descriptors used in this study for blood-to-plasma concentration ratio.
|
log B/P, (1 μM) | RDF065u | GATS8m | RDF090m |
R2u+ | Mor24m |
log B/P, (10 μM) | R3m | RDF095u | G3p |
R4m+ | MATS4m |
| 0.58 | 23.742 | 0.015 | 5.156 | 0.154 | 0.186 | 0.61 | 0.489 | 7.467 | 0.152 | 0.105 | 0.989 | 0.61 | 23.858 | 0.012 | 4.671 | 0.138 | 0.364 | 1.33 | 0.449 | 14.299 | 0.145 | 0.047 | 0.984 | 0.79 | 24.983 | 0.011 | 3.94 | 0.158 | 0.355 | 0.83 | 0.465 | 11.956 | 0.149 | 0.123 | 0.997 | 0.69 | 26.309 | 0.013 | 4.879 | 0.167 | 0.187 | 0.74 | 0.541 | 10.008 | 0.15 | 0.074 | 0.991 | 0.41 | 23.585 | 0.015 | 4.594 | 0.137 | 0.081 | 0.56 | 0.563 | 12.042 | 0.151 | 0.112 | 0.992 | 0.52 | 37.224 | 0.014 | 4.197 | 0.161 | 0.109 | 0.71 | 0.56 | 13.736 | 0.146 | 0.103 | 1.005 | 0.51 | 27.16 | 0.019 | 3.306 | 0.143 | 0.511 | 0.57 | 0.604 | 13.682 | 0.151 | 0.106 | 1.003 | 0.76 | 27.772 | 0.014 | 3.272 | 0.15 | 0.476 | 0.73 | 0.588 | 13.495 | 0.151 | 0.106 | 1.001 | 0.19 | 40.32 | 0.013 | 7.91 | 0.137 | 0.19 | 0.41 | 0.618 | 10.831 | 0.147 | 0.093 | 0.994 | 0.50 | 27.305 | 0.014 | 6.23 | 0.154 | 0.155 | 0.39 | 0.569 | 12.303 | 0.15 | 0.11 | 0.997 | 0.45 | 29.435 | 0.015 | 7.557 | 0.173 | 0.295 | 0.40 | 0.677 | 17.95 | 0.155 | 0.089 | 0.988 | 0.48 | 35.825 | 0.012 | 8.155 | 0.186 | 0.21 | 0.28 | 0.739 | 17.215 | 0.146 | 0.107 | 1.005 | 0.30 | 26.939 | 0.019 | 5.981 | 0.126 | 0.415 | 0.28 | 0.709 | 12.81 | 0.151 | 0.103 | 1.006 | 0.50 | 33.143 | 0.014 | 7.632 | 0.213 | 0.351 | 0.39 | 0.642 | 12.969 | 0.159 | 0.09 | 0.991 | 0.51 | 28.33 | 0.014 | 8.646 | 0.195 | 0.278 | 0.53 | 0.674 | 18.473 | 0.156 | 0.12 | 1.003 | 0.39 | 30.342 | 0.014 | 11.978 | 0.2 | 0.326 | 0.37 | 0.624 | 13.339 | 0.147 | 0.09 | 0.987 | 0.44 | 43.146 | 0.014 | 2.297 | 0.153 | 0.116 | 0.35 | 0.578 | 8.218 | 0.147 | 0.095 | 0.995 | 0.37 | 41.129 | 0.014 | 8.602 | 0.206 | 0.207 | 0.33 | 0.613 | 10.168 | 0.147 | 0.088 | 0.992 | 0.71 | 20.145 | 0.013 | 4.075 | 0.145 | 0.26 | 0.52 | 0.677 | 6.122 | 0.169 | 0.108 | 0.995 | 0.76 | 26.134 | 0.014 | 7.038 | 0.22 | 0.163 | 0.94 | 0.593 | 8.183 | 0.162 | 0.091 | 0.992 | 0.42 | 24.48 | 0.014 | 6.615 | 0.16 | 0.113 | −0.04 | 0.624 | 3.403 | 0.152 | 0.096 | 0.989 |
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