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Modeling Epoxidation of Drug-like Molecules with a Deep Machine Learning Network
[Image: see text] Drug toxicity is frequently caused by electrophilic reactive metabolites that covalently bind to proteins. Epoxides comprise a large class of three-membered cyclic ethers. These molecules are electrophilic and typically highly reactive due to ring tension and polarized carbon–oxyge...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2015
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4827534/ https://www.ncbi.nlm.nih.gov/pubmed/27162970 http://dx.doi.org/10.1021/acscentsci.5b00131 |