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ComABAN: refining molecular representation with the graph attention mechanism to accelerate drug discovery.
Huihui Yan
Yuanyuan Xie
Yao Liu
Leer Yuan
Rong Sheng
Published in:
Briefings Bioinform. (2022)
Keyphrases
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drug discovery
chemical compounds
virtual screening
attention mechanism
pharmaceutical industry
drug design
early stage
scientific data
data mining
biological systems
random walk
systems biology
discovery process
knowledge discovery
data mining tools
visual attention
similarity measure
machine learning
real time