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G2GT: Retrosynthesis Prediction with Graph-to-Graph Attention Neural Network and Self-Training.
Zaiyun Lin
Shiqiu Yin
Lei Shi
Wenbiao Zhou
Yingsheng J. Zhang
Published in:
J. Chem. Inf. Model. (2023)
Keyphrases
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neural network
graph model
weighted graph
graph representation
prediction model
random walk
structured data
genetic algorithm
spanning tree
directed graph
artificial neural networks
graph structure
data sets
fuzzy logic
semi supervised learning
connected components
pattern recognition
graph databases