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

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-chemical...

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Detalles Bibliográficos
Autores principales:	Zheng, Shuangjia, Yan, Xin, Gu, Qiong, Yang, Yuedong, Du, Yunfei, Lu, Yutong, Xu, Jun
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2019
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6689867/ https://www.ncbi.nlm.nih.gov/pubmed/30656426 http://dx.doi.org/10.1186/s13321-019-0328-9

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