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MechRetro is a chemical-mechanism-driven graph learning framework for interpretable retrosynthesis prediction and pathway planning.
Yu Wang
Chao Pang
Yuzhe Wang
Yi Jiang
Junru Jin
Sirui Liang
Quan Zou
Leyi Wei
Published in:
CoRR (2022)
Keyphrases
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learning mechanism
learning algorithm
learning process
knowledge acquisition
macro operators
machine learning
neural network
prior knowledge
active learning
online learning
learning tasks
learning scheme
macro actions
design principles
prediction model
domain independent
learning systems
reinforcement learning