Table 6: Comparative biological activity [logIC50 (M)] of the test set.

Compound no. Observed activity Predicted activity
5 6.530 5.964
8 6.343 5.836
12 5.413 5.949
15 6.429 6.160
18 9.377 8.634
21 7.268 6.465
23 6.818 6.489
24 6.085 6.334
26 6.054 6.513
30 5.416 4.899
31 6.277 6.334
35 4.939 5.259
39 4.220 5.302
46 6.000 6.202
47 4.117 5.202
48 4.679 5.333
51 5.703 5.956
57 6.777 6.813
58 6.648 6.602
59 5.820 7.031
63 9.745 8.523
64 9.456 8.523
66 9.276 8.203
72 8.388 8.285