Sökning: "Hampus Gummesson Svensson"

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1. 1. Sequential Decision-Making for Drug Design: Towards closed-loop drug design

   Författare :Hampus Gummesson Svensson; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; de novo drug design; multi-armed bandits; active learning; reinforcement learning; reaction yield prediction;

   Sammanfattning : Drug design is a process of trial and error to design molecules with a desired response toward a biological target, with the ultimate goal of finding a new medication. It is estimated to be up to 10^{60} molecules that are of potential interest as drugs, making it a difficult problem to find suitable molecules. LÄS MER