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Root-aligned SMILES for Molecular Retrosynthesis Prediction.
Zipeng Zhong
Jie Song
Zunlei Feng
Tiantao Liu
Lingxiang Jia
Shaolun Yao
Min Wu
Tingjun Hou
Mingli Song
Published in:
CoRR (2022)
Keyphrases
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prediction accuracy
drug design
three dimensional
prediction algorithm
information retrieval
dna computing
data sets
prediction error
neural network
machine learning
e learning
multiscale
expert systems
drug discovery
protein structure prediction
molecular dynamics