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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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| Publicat a: | J Cheminform |
|---|---|
| Autors principals: | , , , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Springer International Publishing
2019
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6689867/ https://ncbi.nlm.nih.gov/pubmed/30656426 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-019-0328-9 |
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