“We have this kind of like Thompson sampling level approach where we come up with an optimization function… we think that's part of it is that was like a really good starting point”
Ian Quigley, Leash Bio · Latent Space: The AI Engineer Podcast · Lab-in-the-Loop at Compute Speed - Ian Quigley, Leash Bio
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1:29:19
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What was described
Use a Thompson sampling-style optimization function to design chemical libraries that target drug-likeness, binding, and ADMET properties
Said nearby on the same subject
“You say, okay, of all the chemicals that I could make given my geometry, I don't want to make that many… you basically set up and generate a bunch of synthetic libraries and then you score them on this optimization function”
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