Antiviral Challenge
ASAP Discovery is approaching a patent disclosure for its preclinical candidates for its two coronavirus Mpro drug discovery programs. This competition will mirror some of the real-world drug discovery challenges that ASAP has had to overcome in the last three years.
Next intermediate leaderboard update
Updated January 23, 2025
Ligand Pose
Since the rise of structure-informed drug discovery in the 1980s-1990s, structural biology is key to drug discovery. In this sub-challenge, we ask you to predict MERS-CoV Mpro poses using knowledge from the SARS-CoV-2 Mpro crystallography data that ASAP created. You have access to 770 ligand poses. Submit something today!
Rank | Scientist | Metric |
---|---|---|
1 | Cas Wognum | 0.65 |
2 | Cas Wognum | 0.65 |
3 | Cas Wognum | 0.65 |
4 | Cas Wognum | 0.65 |
5 | Cas Wognum | 0.65 |
6 | Cas Wognum | 0.65 |
7 | Cas Wognum | 0.65 |
8 | Cas Wognum | 0.65 |
9 | Cas Wognum | 0.65 |
10 | Cas Wognum | 0.65 |
11 | Cas Wognum | 0.65 |
12 | Cas Wognum | 0.65 |
Updated January 23, 2025
Ligand Potency
Likely the most popular prediction for computational modellers. Although it’s an important feature, as we can see in ASAP’s TCP it only tells a part of the story. You will predict potency for both Mpro targets. Submit your predictions today!
Rank | Scientist | MAE |
---|---|---|
1 | Cas Wognum | 0.65 |
2 | Cas Wognum | 0.65 |
3 | Cas Wognum | 0.65 |
4 | Cas Wognum | 0.65 |
5 | Cas Wognum | 0.65 |
6 | Cas Wognum | 0.65 |
7 | Cas Wognum | 0.65 |
8 | Cas Wognum | 0.65 |
9 | Cas Wognum | 0.65 |
10 | Cas Wognum | 0.65 |
11 | Cas Wognum | 0.65 |
12 | Cas Wognum | 0.65 |
Updated January 23, 2025
Ligand ADMET
Absorption-Distribution-Metabolism-Excretion-Toxicology (ADMET) endpoints sit in the middle of the assay cascade and can make or break preclinical candidate molecules. For this blind challenge we selected several crucial endpoints for the community to predict. Submit your predictions today!
Rank | Scientist | MAE |
---|---|---|
1 | Cas Wognum | 0.65 |
2 | Cas Wognum | 0.65 |
3 | Cas Wognum | 0.65 |
4 | Cas Wognum | 0.65 |
5 | Cas Wognum | 0.65 |
6 | Cas Wognum | 0.65 |
7 | Cas Wognum | 0.65 |
8 | Cas Wognum | 0.65 |
9 | Cas Wognum | 0.65 |
10 | Cas Wognum | 0.65 |
11 | Cas Wognum | 0.65 |
12 | Cas Wognum | 0.65 |
Help Us Design the Challeng
We’ve done our best to craft meaningful metrics for the challenge, but we don’t have all of the answers! We’re welcoming suggestions from the community on what metrics we should be focusing on to evaluate the submissions. If you’ve got ideas, please share them with us via the Polaris Discord. Join the conversation below.
