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Molecular generation strategy and optimization based on A2C reinforcement learning in de novo drug design.
Qian Wang
Zhiqiang Wei
Xiaotong Hu
Zhuoya Wang
Yujie Dong
Hao Liu
Published in:
Bioinform. (2023)
Keyphrases
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drug design
reinforcement learning
quantitative structure activity
protein structure prediction
drug discovery
protein protein interactions
optimization problems
learning algorithm
sequence data