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...

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Publicado en:J Med Chem
Main Authors: 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.
Formato: Artigo
Idioma:Inglês
Publicado: American Chemical Society 2020
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC7457232/
https://ncbi.nlm.nih.gov/pubmed/32243158
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jmedchem.9b02120
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