Advances in Physical Chemistry / 2016 / Article / Tab 6 / Research Article
Investigation of Antileishmanial Activities of Acridines Derivatives against Promastigotes and Amastigotes Form of Parasites Using Quantitative Structure Activity Relationship Analysis Table 6 The values of chemical descriptors and the observed and predicted activities using the MLR models for the test set.
Test set (promastigotes) pIC50 PRO Number N% NHA NHD MTI TVC Obs. MLR 3 12.030 4.259 5.024 3 2 14075 3.891 10−07 −1.669 −2.047 6 9.270 5.640 4.654 5 2 28763 1.716 10−10 −0.230 −1.014 10 10.780 5.730 5.267 3 2 16459 4.902 10−08 −1.061 −1.832 14 11.760 2.698 3.062 3 1 4387 3.050 10−05 0.301 −0.012 17 8.580 4.969 3.431 4 1 10329 5.188 10−07 −0.380 −0.664 21 7.180 5.214 3.498 5 1 18600 1.334 10−08 −0.114 −0.551 37 4.460 6.939 4.779 2 0 8245 4.076 10−06 −2.200 −1.781 38 10.680 5.122 4.374 2 1 6388 5.083 10−06 −2.245 −1.512 42 8.480 5.260 4.457 3 1 12005 1.307 10−07 −1.815 −1.608 64 13.170 5.297 4.388 5 2 47653 1.201 10−10 −0.940 −0.455 Test set (amastigotes) pIC50 AMA Number NHA NHD CT Obs. MLR 5 −5.850 1064.61 1300.866 3 2 19.110 0.699 −0.787 6 −5.785 1005.95 1247.456 5 2 18.715 1.523 0.332 26 −5.665 583.700 926.651 2 0 7.815 −1.170 −1.456 27 −5.603 622.270 930.050 3 0 8.827 −1.877 −1.628 29 −5.640 618.850 938.380 3 0 9.007 −1.561 −1.467 36 −5.966 676.650 1037.977 2 1 12.201 −1.427 −0.774 37 −6.025 552.770 930.967 2 0 8.348 −2.185 −1.457 44 −5.919 749.400 1083.064 2 1 12.828 −1.004 −0.978 46 −5.790 752.980 1078.419 3 1 13.925 −0.973 −0.733 50 −5.461 625.750 913.563 3 2 13.449 −0.531 −1.028
