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Evaluation of reinforcement learning in transformer-based molecular design.
Jiazhen He
Alessandro Tibo
Jon Paul Janet
Eva Nittinger
Christian Tyrchan
Werngard Czechtizky
Ola Engkvist
Published in:
J. Cheminformatics (2024)
Keyphrases
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reinforcement learning
design process
design decisions
optimal design
design space
formative evaluation
neural network
multi agent
state space
user experience
engineering design