Table 1.
Ranking of the results of GTP docking.
| Ranking method | Training set, 7 complexes | Test set, 7 complexes | ||
| Number of complexes for which correct pose was ranked at top | Average best rank of correct pose | Number of complexes for which correct pose was ranked at top | Average best rank of correct pose | |
| goldscore | 4 | 4.7 | 3 | 12.1 |
| Tstack | 5 | 2.3 | 3 | 7.0 |
| SF1 = Р 1.3 + 0.21 × Tstack + 0.016 × goldscore | 5 | 1.7 | 4 | 6.9 |
| SF2 = 0.06 + 0.007 × Tlipophilic+ 0.43 × Th-bond | 5 | 2.3 | 4 | 6.9 |
| SF3 = 0.05 + 0.004 × Tlipophilic+ 0.39 × Th-bond + 0.22 × Tstack | 6 | 2.0 | 5 | 6.4 |