Table 3.
ROC curve enrichment. A total of 6 different enrichment factors (for the top 1%, 2%, 5%, 10%, 20%, and 50% of the respective ligand-receptor lists) for each selection method were calculated.
| Astex EF | 1% | 2% | 5% | 10% | 20% | 50% |
|---|---|---|---|---|---|---|
| Score | 23.5 | 17.1 | 8.7 | 5.2 | 3.1 | 1.69 |
| Receptor-average Z-score | 32.9 | 19.4 | 11.1 | 6.5 | 3.6 | 1.65 |
| Ligand-average Z-score | 25.9 | 17.1 | 8.0 | 5.2 | 3.4 | 1.65 |
| Combined Z-score | 36.5 | 21.8 | 10.6 | 6.1 | 3.5 | 1.69 |
| DUD EF | 1% | 2% | 5% | 10% | 20% | 50% |
|---|---|---|---|---|---|---|
| Score | 7.2 | 6.1 | 4.8 | 3.8 | 2.6 | 1.56 |
| Receptor-average Z-score | 6.1 | 4.5 | 3.7 | 3.1 | 2.4 | 1.60 |
| Ligand-average Z-score | 7.5 | 7.2 | 5.8 | 3.9 | 2.6 | 1.54 |
| Combined Z-score | 7.2 | 6.8 | 4.7 | 3.7 | 2.7 | 1.62 |
| DUD-E EF | 1% | 2% | 5% | 10% | 20% | 50% |
|---|---|---|---|---|---|---|
| Score | 12.7 | 8.5 | 5.0 | 3.5 | 2.4 | 1.52 |
| Receptor-average Z-score | 16.7 | 12.1 | 6.9 | 4.3 | 2.8 | 1.56 |
| Ligand-average Z -score | 12.8 | 9.1 | 5.4 | 3.7 | 2.5 | 1.52 |
| Combined Z-score | 18.0 | 11.9 | 6.8 | 4.4 | 2.8 | 1.57 |