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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Bibliografiske detaljer
Udgivet i:BMC Bioinformatics
Main Authors: Hirohara, Maya, Saito, Yutaka, Koda, Yuki, Sato, Kengo, Sakakibara, Yasubumi
Format: Artigo
Sprog:Inglês
Udgivet: BioMed Central 2018
Fag:
Research
Online adgang: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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