Classification of alkaloids according to the starting substances of their biosynthetic pathways using graph convolutional neural networks

Classification of alkaloids according to the starting substances of their biosynthetic pathways using graph convolutional neural networks

Abstract Background Alkaloids, a class of organic compounds that contain nitrogen bases, are mainly synthesized as secondary metabolites in plants and fungi, and they have a wide range of bioactivities. Although there are thousands of compounds in this class, few of their biosynthesis pathways are f...

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Bibliographic Details
Main Authors: Ryohei Eguchi, Naoaki Ono, Aki Hirai Morita, Tetsuo Katsuragi, Satoshi Nakamura, Ming Huang, Md. Altaf-Ul-Amin, Shigehiko Kanaya
Format: Article
Language:English
Published: BMC 2019-07-01
Series:BMC Bioinformatics
Subjects:
Molecular graph convolutional neural networks
Alkaloids
Metabolic pathways
Deep learning
Online Access:http://link.springer.com/article/10.1186/s12859-019-2963-6

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http://link.springer.com/article/10.1186/s12859-019-2963-6

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