Table 1 The mean values of eight simple descriptors for inhibitors and non-inhibitors and the associated p-values determined by Mann–Whitney U-test for each descriptor
Class | SlogP | logS | a_acc | a_don | b_rotN | KierFlex | a_aro | b_ar |
|---|---|---|---|---|---|---|---|---|
Inhibitors | 4.26 | − 6.07 | 4.10 | 1.19 | 6.09 | 4.36 | 17.51 | 18.01 |
Non-inhibitors | 3.29 | − 5.25 | 3.70 | 1.41 | 5.88 | 4.53 | 13.46 | 13.73 |
p-value | 2.16 × 10−50 | 4.63 × 10−27 | 1.32 × 10−09 | 1.12 × 10−08 | 6.38 × 10−01 | 3.14 × 10−04 | 6.90 × 10−75 | 5.90 × 10−80 |