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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:
CoRR (2022)
Keyphrases
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drug design
multi armed bandits
protein structure prediction
bandit problems
drug discovery
quantitative structure activity
protein protein interactions
multi armed bandit
least squares
learning algorithm
objective function
fine grained
protein sequences