As there will be no intermediate leaderboard for Step1, could the organizers share some insights on the performance of fingerprint-only models?
If none of the fingerprint models seem to work, this could guide/motivate participants in exploring completely different approaches such as structure-based docking or FEP.
Created by Ruel Cedeno rced Yes! One team identified 7 clusters and 8 teams identified 4 clusters in their selection of 200 compounds. Other teams identified less. Simple baseline models tested before the launch of the challenge had identified 2 or 3 clusters.