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Convolutional neural network based on SMILES representation of compounds for detecting chemical motif.
Maya Hirohara
Yutaka Saito
Yuki Koda
Kengo Sato
Yasubumi Sakakibara
Published in:
BMC Bioinform. (2018)
Keyphrases
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drug discovery
neural network
chemical compounds
real time
data sets
image representation
power system
experimental data
feature representation
motif discovery
molecular structure