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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Bibliographic Details
Main Authors: Coley, Connor W. (Author), Barzilay, Regina (Contributor), Jaakkola, Tommi S. (Contributor), Green, William H. (Contributor), Jensen, Klavs F. (Contributor), Coley, Connor Wilson (Contributor)
Other Authors: Massachusetts Institute of Technology. Computer Science and Artificial Intelligence Laboratory (Contributor), Massachusetts Institute of Technology. Department of Chemical Engineering (Contributor), Massachusetts Institute of Technology. Department of Electrical Engineering and Computer Science (Contributor)
Format: Article
Language:English
Published: American Chemical Society (ACS), 2017-07-14T18:41:19Z.
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