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,...
| Main Authors: | , , , , , |
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
American Chemical Society (ACS)
2017
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| Online Access: | 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 |