Table 2.
Performance of methods on DUD using experimental structures in non-cross docking
| Method (Binding database) | Average EF0.01 | Average EF0.05 | Average EF0.1 | Average AUAC |
|---|---|---|---|---|
| FINDSITEX (DrugBank) | 6.26 | 3.77 | 3.11 | |
| FINDSITEX (ChEMBL) | 7.03 | 4.49 | 3.13 | |
| FINDSITEfilt (PDB) | 11.2 | 5.54 | 3.86 | |
| FINDSITEcomb | 13.4 | 6.56 | 4.37 | 0.774 |
| AUTODOCK Vina | 4.80 (5.3×10−4)a | 3.01 (9.4×10−4) | 2.40 (7.7×10−4) | 0.586 (3.0×10−7) |
| DOCK 6 | 3.72 (1.5×10−4) | 1.79 (1.8×10−5) | 1.24 (9.9×10−7) | 0.426 (1.3×10−12) |
a
Numbers in brackets are two-sided p-values of Student-t test between FINDSITEcomb and docking methods.