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Molecular De Novo Design through Transformer-based Reinforcement Learning.
Tao Feng
Pengcheng Xu
Tianfan Fu
Siddhartha Laghuvarapu
Jimeng Sun
Published in:
CoRR (2023)
Keyphrases
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reinforcement learning
machine learning
information systems
fuzzy logic
design process
engineering design
optimal control
evolutionary algorithm
dynamic programming
optimal policy
computer aided
function approximation
design decisions
design methodology