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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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Dades bibliogràfiques
Publicat a:BMC Bioinformatics
Autors principals: Hirohara, Maya, Saito, Yutaka, Koda, Yuki, Sato, Kengo, Sakakibara, Yasubumi
Format: Artigo
Idioma:Inglês
Publicat: BioMed Central 2018
Matèries:
Accés en línia: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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