Prediction of Organic Reaction Outcomes Using Machine Learning

Prediction of Organic Reaction Outcomes Using Machine Learning

Computer assistance in synthesis design has existed for over 40 years, yet retrosynthesis planning software has struggled to achieve widespread adoption. One critical challenge in developing high-quality pathway suggestions is that proposed reaction steps often fail when attempted in the laboratory,...

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Bibliografiska uppgifter
Huvudupphovsmän: Coley, Connor W., Barzilay, Regina, Jaakkola, Tommi S., Green, William H., Jensen, Klavs F., Coley, Connor Wilson
Övriga upphovsmän: Massachusetts Institute of Technology. Computer Science and Artificial Intelligence Laboratory
Materialtyp: Artikel
Språk:en_US
Publicerad: American Chemical Society (ACS) 2017
Länkar:http://hdl.handle.net/1721.1/110706
https://orcid.org/0000-0002-8271-8723
https://orcid.org/0000-0002-2921-8201
https://orcid.org/0000-0002-2199-0379
https://orcid.org/0000-0001-7192-580X

Internet

http://hdl.handle.net/1721.1/110706
https://orcid.org/0000-0002-8271-8723
https://orcid.org/0000-0002-2921-8201
https://orcid.org/0000-0002-2199-0379
https://orcid.org/0000-0001-7192-580X

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