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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.

13Days 23Hours 32Minutes 54Seconds

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
1Cas Wognum0.65
2Cas Wognum0.65
3Cas Wognum0.65
4Cas Wognum0.65
5Cas Wognum0.65
6Cas Wognum0.65
7Cas Wognum0.65
8Cas Wognum0.65
9Cas Wognum0.65
10Cas Wognum0.65
11Cas Wognum0.65
12Cas Wognum0.65

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
1Cas Wognum0.65
2Cas Wognum0.65
3Cas Wognum0.65
4Cas Wognum0.65
5Cas Wognum0.65
6Cas Wognum0.65
7Cas Wognum0.65
8Cas Wognum0.65
9Cas Wognum0.65
10Cas Wognum0.65
11Cas Wognum0.65
12Cas Wognum0.65

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
1Cas Wognum0.65
2Cas Wognum0.65
3Cas Wognum0.65
4Cas Wognum0.65
5Cas Wognum0.65
6Cas Wognum0.65
7Cas Wognum0.65
8Cas Wognum0.65
9Cas Wognum0.65
10Cas Wognum0.65
11Cas Wognum0.65
12Cas Wognum0.65

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.

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