Table II.
Comparing relative scoring performance among IRAD, RF and EGCN for three testing sets under the CAPRI criteria. As an upper limit, the best possible performance for each decoy set is given by ranking the best model (with the lowest iRMSD) as the first. Following the CAPRI convention, reported are the numbers of targets with at least an acceptable, at most a medium (**), or at most a high-quality (***) model within top 1/5/10 predictions ranked by individual scoring functions. For instance, 7/4**/2*** means that a scoring function has generated 7 targets with at least acceptable top-ranked models, including 4 with medium and 2 with high-quality predictions at best.
| Top 1 | Top 5 | Top 10 | ||
|---|---|---|---|---|
| Benchmark Test Set (107) | IRAD | 10/0**/0*** | 30/13**/2*** | 40/18/7*** |
| RF | 13/5**/0*** | 35/17**/5*** | 42/25**/10*** | |
| EGCN | 17/8**/2*** | 46/21**/5*** | 51/28**/11*** | |
| Best Possible | 70/47**/20*** | 70/47**/20*** | 70/47**/20*** | |
| CAPRI Test Set (14) | IRAD | 3/1**/0*** | 4/2**/0*** | 6/3**/1*** |
| RF | 4/1**/1*** | 6/2**/1*** | 8/3/2*** | |
| EGCN | 5/1**/1*** | 6/3**/2*** | 7/4/2*** | |
| Best Possible | 9/6**/3*** | 9/6**/3*** | 9/6**/3*** | |
| Score Set (13) | IRAD | 3/2**/0*** | 5/4**/1*** | 7/4**/2*** |
| RF | 1/0**/0*** | 3/2**/0*** | 3/2**/1*** | |
| EGCN | 3/2**/0*** | 6/4**/1*** | 7/4**/1*** | |
| Best Possible | 11/9**/3*** | 11/9**/3*** | 11/9**/3*** |