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Tuesday, January 12, 2021

Steven Kearnes: Pursuing a Prospective Perspective

 Join us on Tuesday, January 26, 2021 - 12:00 PM to 1:30 PM EST

We spend a lot of time building models and comparing them to other models. The field generally agrees that forward-looking predictions are the best validation, but even prospective validation can be misleading if it does not consider the actual deployment context: How does the model affect compound selection? What controls are in place to ensure that downstream uses of model predictions are consistent? As a concrete example, I'll review our recent work with DNA-encoded libraries. I'll conclude with a summary of the Open Reaction Database, a large-scale data gathering effort with some interesting possibilities for prospective applications.

Presentation https://youtu.be/6IDKEIln1JM