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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Detalles Bibliográficos
Autores principales: Coley, Connor W., Barzilay, Regina, Jaakkola, Tommi S., Green, William H., Jensen, Klavs F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5445544/
https://www.ncbi.nlm.nih.gov/pubmed/28573205
http://dx.doi.org/10.1021/acscentsci.7b00064

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5445544/
https://www.ncbi.nlm.nih.gov/pubmed/28573205
http://dx.doi.org/10.1021/acscentsci.7b00064

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