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Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks
[Image: see text] In de novo drug design, computational strategies are used to generate novel molecules with good affinity to the desired biological target. In this work, we show that recurrent neural networks can be trained as generative models for molecular structures, similar to statistical langu...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5785775/ https://www.ncbi.nlm.nih.gov/pubmed/29392184 http://dx.doi.org/10.1021/acscentsci.7b00512 |