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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Publicat a:J Med Chem
Autors principals: 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.
Format: Artigo
Idioma:Inglês
Publicat: American Chemical Society 2020
Accés en línia: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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