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UAlign: Pushing the Limit of Template-free Retrosynthesis Prediction with Unsupervised SMILES Alignment.
Kaipeng Zeng
Bo yang
Xin Zhao
Yu Zhang
Fan Nie
Xiaokang Yang
Yaohui Jin
Yanyan Xu
Published in:
CoRR (2024)
Keyphrases
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prediction accuracy
template matching
semi supervised
prediction model
unsupervised learning
prediction error
information systems
input image
supervised learning
matching algorithm
image alignment
learning algorithm
data driven
supervised classification
prediction algorithm
completely unsupervised