Target: CDK2.
This is a repeat of the work desscribed for validating rDock and Smina for DHFR. Look here for that data and for the methodology.
| tool | # actives in top 100 |
|---|---|
| rDock | 5 |
| Smina - vina | 7 |
| Smina - vinardo | 13 |
| Smina - dkoes | 0 |
| Smina - ad4 | 3 |
Whilst rDock is performing quite well, the enrichment is not as good as for DHFR, and Smina with the vinardo scroring function performs a bit better, especially with early recall. The other Smina scoring functions do not perform well.