QBMG: quasi-biogenic molecule generator with deep recurrent neural network

QBMG: quasi-biogenic molecule generator with deep recurrent neural network

Abstract Biogenic compounds are important materials for drug discovery and chemical biology. In this work, we report a quasi-biogenic molecule generator (QBMG) to compose virtual quasi-biogenic compound libraries by means of gated recurrent unit recurrent neural networks. The library includes stereo...

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Bibliographic Details
Main Authors: Shuangjia Zheng, Xin Yan, Qiong Gu, Yuedong Yang, Yunfei Du, Yutong Lu, Jun Xu
Format: Article
Language:English
Published: BMC 2019-01-01
Series:Journal of Cheminformatics
Subjects:
Deep learning
Recurrent neural networks
Natural product
Virtual library
Online Access:http://link.springer.com/article/10.1186/s13321-019-0328-9

Internet

http://link.springer.com/article/10.1186/s13321-019-0328-9

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