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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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Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:BMC Bioinformatics
Prif Awduron: Hirohara, Maya, Saito, Yutaka, Koda, Yuki, Sato, Kengo, Sakakibara, Yasubumi
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: BioMed Central 2018
Pynciau:
Mynediad Ar-lein: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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