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Convolutional neural network based on SMILES representation of compounds for detecting chemical motif

BACKGROUND: Previous studies have suggested deep learning to be a highly effective approach for screening lead compounds for new drugs. Several deep learning models have been developed by addressing the use of various kinds of fingerprints and graph convolution architectures. However, these methods...

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Podrobná bibliografie
Vydáno v:BMC Bioinformatics
Hlavní autoři: Hirohara, Maya, Saito, Yutaka, Koda, Yuki, Sato, Kengo, Sakakibara, Yasubumi
Médium: Artigo
Jazyk:Inglês
Vydáno: BioMed Central 2018
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC6311897/
https://ncbi.nlm.nih.gov/pubmed/30598075
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s12859-018-2523-5
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