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De novo generation of dual-target ligands using adversarial training and reinforcement learning.
Fengqing Lu
Mufei Li
Xiaoping Min
Chunyan Li
Xiangxiang Zeng
Published in:
Briefings Bioinform. (2021)
Keyphrases
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pre trained
reinforcement learning
training examples
multi agent
training set
training phase
function approximation
state space
supervised learning
test set
markov decision processes
training samples
transfer learning
machine learning
training process
mass spectrometry
drug design
decision trees