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Autonomous Drug Design with Multi-Armed Bandits.
Hampus Gummesson Svensson
Esben Jannik Bjerrum
Christian Tyrchan
Ola Engkvist
Morteza Haghir Chehreghani
Published in:
Big Data (2022)
Keyphrases
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drug design
multi armed bandits
protein structure prediction
drug discovery
bandit problems
quantitative structure activity
protein protein interactions
multi armed bandit
pairwise
data management
protein structure
computational methods