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PEMP: Leveraging Physics Properties to Enhance Molecular Property Prediction.
Yuancheng Sun
Yimeng Chen
Weizhi Ma
Wenhao Huang
Kang Liu
Zhiming Ma
Wei-Ying Ma
Yanyan Lan
Published in:
CoRR (2022)
Keyphrases
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desirable properties
prediction accuracy
key properties
artificial intelligence
computer science
prediction algorithm
drug design
monotonicity property
databases
structural properties
neural network
decision trees
topological properties