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Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis
[Image: see text] Artificial intelligence and machine learning have demonstrated their potential role in predictive chemistry and synthetic planning of small molecules; there are at least a few reports of companies employing in silico synthetic planning into their overall approach to accessing targe...
Autores principales: | Struble, Thomas J., Alvarez, Juan C., Brown, Scott P., Chytil, Milan, Cisar, Justin, DesJarlais, Renee L., Engkvist, Ola, Frank, Scott A., Greve, Daniel R., Griffin, Daniel J., Hou, Xinjun, Johannes, Jeffrey W., Kreatsoulas, Constantine, Lahue, Brian, Mathea, Miriam, Mogk, Georg, Nicolaou, Christos A., Palmer, Andrew D., Price, Daniel J., Robinson, Richard I., Salentin, Sebastian, Xing, Li, Jaakkola, Tommi, Green, William. H., Barzilay, Regina, Coley, Connor W., Jensen, Klavs F. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical
Society
2020
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7457232/ https://www.ncbi.nlm.nih.gov/pubmed/32243158 http://dx.doi.org/10.1021/acs.jmedchem.9b02120 |
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