Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis

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 target molecules. A dat...

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Bibliographic Details
Main Authors: Struble, Thomas J, Jaakkola, Tommi S, Green Jr, William H, Barzilay, Regina
Other Authors: Massachusetts Institute of Technology. Department of Chemical Engineering
Format: Article
Language:English
Published: American Chemical Society (ACS) 2020
Online Access:https://hdl.handle.net/1721.1/125681