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subGE: Enhancing the subgraph representation of molecular compounds structure-activity relationship discovery.
Xiaoyu Chen
Quan Qian
Published in:
Eng. Appl. Artif. Intell. (2023)
Keyphrases
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scientific data
drug discovery
quantitative structure activity
drug design
molecular structure
human activities
spatial structure
temporal ordering
automatically discovering
three dimensional
multiscale
image representation
experimental data
temporal structure
structured representations