Skip to main content
. 2014 Jun 30;35(8):1093–1102. doi: 10.1038/aps.2014.35

Table 3. Mean physicochemical properties for the training set and test set molecules.

Descriptor Training set
 Test set
Inactive (n=1385) Active (n=1004) Inactive (n=147) Active (n=108)
MW 335.26±131.68 437.50±95.96 324.42±124.09 438.51±96.40
FPSA 0.24±0.16 0.17±0.06 0.26±0.16 0.16±0.07
ALogP 1.40±2.61 3.05±1.71 1.07±2.64 2.87±1.71
pKa_basic 6.20±4.11 8.12±2.83 5.47±4.08 8.70±2.62