S/No | Experimental pIC50 | Predicted pIC50 | Residual |
---|---|---|---|
D 1rm | 0.2856 | 0.4118 | − 0.1263 |
D 2rm | 0.3222 | 0.2638 | 0.0584 |
D 3rm | 0.3838 | 0.4081 | − 0.0243 |
D 4rm | 0.3856 | 0.5156 | − 0.1300 |
D 5rm | 0.4031 | 0.5995 | − 0.1964 |
D 6rm | 0.4378 | 0.4802 | − 0.0424 |
D 7rm | 0.5416 | 0.5466 | − 0.0050 |
D 10rm | 0.6425 | 0.5617 | 0.0807 |
D 11rm | 0.6561 | 0.8118 | − 0.1557 |
D 12rm | 0.6875 | 0.7264 | − 0.0389 |
D 13rm | 0.6928 | 0.7285 | − 0.0356 |
D 14rm | 0.7490 | 0.5925 | 0.1564 |
D 15rm | 0.8189 | 0.8142 | 0.0047 |
D 18rm | 0.9170 | 0.5925 | 0.3245 |
D 19rm | 0.9355 | 0.9357 | − 0.0002 |
D 20rm | 0.9818 | 0.7995 | 0.1824 |
D 23rm | 0.1584 | 0.2012 | − 0.0428 |
D 29rm | 0.4698 | 0.7142 | − 0.2444 |
D 30rm | 0.4771 | 0.5778 | − 0.1006 |
D 31rm | 0.4843 | 0.5916 | − 0.1073 |
D 32rm | 0.5658 | 0.4350 | 0.1309 |
D 33rm | 0.6212 | 0.7096 | − 0.0884 |
D 34rm | 0.6232 | 0.5165 | 0.1068 |
D 35rm | 0.6325 | 0.6306 | 0.0019 |
D 36rm | 0.6503 | 0.7301 | − 0.0798 |
D 37rm | 0.6580 | 0.6653 | − 0.0073 |
D 38rm | 0.6767 | 0.8792 | − 0.2025 |
D 39rm | 0.7490 | 0.5989 | 0.1501 |
D 40rm | 0.7520 | 0.7989 | − 0.0469 |
D 41rm | 0.8910 | 0.8451 | 0.0459 |
D 42rm | 0.9886 | 0.6653 | 0.3233 |
D 47rm | 0.1271 | 0.2200 | − 0.0929 |
D 48rm | 0.3404 | 0.4729 | − 0.1325 |
D 49rm | 0.3692 | 0.3613 | 0.0079 |
D 50rm | 0.8075 | 0.7105 | 0.0971 |
D 51rm | 0.8235 | 0.8816 | − 0.0581 |
D 52rm | 0.8681 | 0.7905 | 0.0776 |
D 53rm | 0.8751 | 0.8083 | 0.0668 |
D 54rm | 0.9015 | 0.8909 | 0.0106 |
D 55rm | 0.9069 | 0.9478 | − 0.0410 |
D 56rm | 0.9217 | 0.9913 | − 0.0696 |
D 57rm | 0.9279 | 0.8442 | 0.0837 |
D 58rm | 0.9518 | 0.8594 | 0.0924 |
Dt 8rm | 0.5798 | 0.4354 | 0.1444 |
Dt 16rm | 0.8859 | 0.6642 | 0.2218 |
Dt 17rm | 0.9106 | 0.8259 | 0.0847 |
Dt 24rm | 0.2175 | 0.1157 | 0.1018 |
Dt 25rm | 0.2175 | 0.2106 | 0.0069 |
Dt 26rm | 0.2504 | 0.4266 | − 0.1762 |
Dt 27rm | 0.4487 | 0.7349 | − 0.2862 |
Dt 28rm | 0.4533 | 0.5813 | − 0.1280 |
Dt 70rm | 0.7789 | 0.6625 | 0.1164 |
Dt 71rm | 0.7938 | 0.6074 | 0.1864 |
Dt 72rm | 0.8407 | 0.9040 | − 0.0633 |
Dt 73rm | 0.8531 | 0.8816 | − 0.0285 |
Dt 74rm | 0.8727 | 0.6200 | 0.2528 |
Dt 77rm | 0.9509 | 0.7484 | 0.2025 |
Dt 78rm | 0.9657 | 1.0178 | − 0.0521 |