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Prediction of Organic Reaction Outcomes Using Machine Learning

[Image: see text] 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...

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Bibliografiske detaljer
Udgivet i:ACS Cent Sci
Main Authors: Coley, Connor W., Barzilay, Regina, Jaakkola, Tommi S., Green, William H., Jensen, Klavs F.
Format: Artigo
Sprog:Inglês
Udgivet: American Chemical Society 2017
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5445544/
https://ncbi.nlm.nih.gov/pubmed/28573205
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acscentsci.7b00064
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