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Mining Discriminative Patterns from Graph Data with Multiple Labels and Its Application to Quantitative Structure-Activity Relationship (QSAR) Models.
Zheng Shao
Yuya Hirayama
Yoshihiro Yamanishi
Hiroto Saigo
Published in:
J. Chem. Inf. Model. (2015)
Keyphrases
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graph data
quantitative structure activity
multiple labels
drug design
drug discovery
relational data
graph mining
structured data
pattern mining
mining algorithm
graph databases
regular expressions
machine learning
data sets
web mining
small number
metadata