Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Compounds from the training set ranked according to their corresponding docking score values, predicted using the CHEMPLP scoring function by GOLD software.
| Compound | Score (GOLD—CHEMPLP) |
|---|---|
| Roc-A | 38.873 |
| 7 | 51.520 |
| 5 | 50.822 |
| 2 | 49.503 |
| 11 | 49.045 |
| 3 | 48.018 |
| 15 | 47.828 |
| 14 | 46.745 |
| 9 | 46.104 |
| 4 | 45.177 |
| 8 | 45.146 |
| 10 | 44.818 |
| 13 | 43.561 |
| 12 | 42.213 |
| 6 | 41.283 |
