Competition
BELKA: The Big Encoded Library for Chemical Assessment
Ian Quigley · Andrew Blevins · Brayden Halverson · Nate Wilkinson · Maxwell Kleinsasser
West Meeting Room 215, 216
Small molecule drugs are often discovered using a brute force physical search,wherein scientists test for interactions between candidate drugs and their proteintargets in a laboratory setting. As druglike chemical space is large (10^60), moreefficient methods to search through this space are desirable. To enable the discoveryand application of such methods, we generated the Big Encoded Library forChemical Assessment (BELKA), roughly 3.6B physical binding measurementsbetween 133M small molecules and 3 protein targets using DNA-encoded chemicallibrary technology. We hope this dataset encourages the community to exploremethods to represent small molecule chemistry and predict likely binders usingchemical and protein target structure.
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Schedule
Sun 1:30 p.m. - 2:00 p.m.
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BELKA contest overview ( Talk ) > link | Ian Quigley 🔗 |
Sun 2:00 p.m. - 2:15 p.m.
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Contest winners and solutions ( Talk ) > link | Andrew Blevins 🔗 |
Sun 2:15 p.m. - 2:30 p.m.
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Contest winner ( Invited talk ) > link | Victor Shlepov 🔗 |
Sun 2:30 p.m. - 3:00 p.m.
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Top 10 contestant
(
Talk
)
>
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Vlad Vinogradov 🔗 |
Sun 3:00 p.m. - 3:30 p.m.
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PolarisHub overview
(
Talk
)
>
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Jonathan Hsu 🔗 |
Sun 3:30 p.m. - 4:30 p.m.
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Working with BELKA and Boltz
(
Tutorial
)
>
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Maxwell Kleinsasser 🔗 |