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Very excited to have taken part in the CACHE2 hit finding challenge. Thank you so much to the organisers and well done to all the participants!
We've written up some of our experiences in this blog: cole-group.github.io/2024/09/10/cac…
@ChemistryNCL @SciencesNCL
cole-group.github.io CACHE Challenge Recently a team of us from Newcastle University were fortunate enough to enter the second Critical Assessment of Computational Hit-Finding Experiments (CACHE) Challenge. The full team comprised: Ben... We've written up some of our experiences in this blog: cole-group.github.io/2024/09/10/cac…
@ChemistryNCL @SciencesNCL
Announcing CACHE2 results! Crowdsourcing and conventional methods did as well as novel ML. Teams started from 4 fragments in the PDB. We tested their predictions and found double-digit µM hits. This is the state-of-the-art. @thesgconline @consciencemeds bit.ly/4dTPBzOView quoted post on X