Research Article
Topological Descriptors and QSPR Modelling of HIV/AIDS Disease Treatment Drugs
| Name of drug | Polarity of drug | Polarity computed from regression model | ABC | R | S | GA | M1 | M2 | F | H | HM |
| Vidaza | 20.3 ± 5.0 cm3 | 23.09952 | 23.42708 | 22.9845 | 22.76874 | 23.182 | 23.709 | 24.393 | 23.16765 | 23.96 | Lamivudine | 21.5 ± 5.0 cm3 | 19.94815 | 20.5904 | 20.25048 | 19.93051 | 19.402 | 19.034 | 19.873 | 20.67915 | 19.37 | Darunavir | 56.9 | 49.18702 | 49.36244 | 48.94122 | 48.45667 | 49.327 | 49.834 | 50.722 | 48.8703 | 50.18 | Disovey | | 21.57601 | 21.97497 | 21.60102 | 21.32164 | 21.292 | 21.234 | 22.133 | 21.88785 | 21.6 | Maraviroc | 55.9 ± 5.0 cm3 | 57.45154 | 56.11644 | 57.43974 | 58.53037 | 59.092 | 60.834 | 58.745 | 56.58465 | 59.55 | Tenofovir | 46.9 ± 5.0 cm3 | 51.08619 | 51.89519 | 51.24702 | 49.99171 | 49.012 | 46.809 | 48.123 | 51.501 | 47.39 | Tipranavir | 60.4 ± 5.0 cm3 | 63.98385 | 63.24191 | 64.06068 | 63.80707 | 66.022 | 67.709 | 69.141 | 63.0192 | 68.35 | Atazanavir | 76.9 ± 5.0 cm3 | 76.79803 | 77.35777 | 76.38024 | 75.92749 | 75.472 | 73.759 | 74.339 | 76.8837 | 73.93 | Lopinavir | 71.00 ± 0.0 cm3 | 67.97002 | 69.59067 | 69.56166 | 69.77134 | 66.022 | 64.959 | 61.005 | 70.698 | 62.65 | Abacavir | 30.10 ± 0.0 cm3 | 31.36404 | 30.85648 | 31.77948 | 32.75449 | 32.632 | 34.159 | 32.529 | 31.593 | 33.13 | Etravirine | 42.4 ± 0.0 cm3 | 38.39723 | 37.91441 | 37.93926 | 38.12713 | 38.302 | 38.284 | 38.179 | 37.74315 | 38.09 | Nelfinavir | 64.4 ± 0.0 cm3 | 62.94035 | 61.4521 | 61.62312 | 62.19208 | 64.132 | 64.959 | 66.203 | 61.0284 | 65.5 | Toreforant | 47.6 ± 0.0 cm3 | 52.10882 | 52.50305 | 52.16934 | 52.00645 | 50.902 | 49.834 | 49.705 | 52.5675 | 49.63 |
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