Capturing chemical intuition in synthesis of metal-organic frameworks

We report a methodology using machine learning to capture chemical intuition from a set of (partially) failed attempts to synthesize a metal-organic framework. We define chemical intuition as the collection of unwritten guidelines used by synthetic chemists to find the right synthesis conditions. As...

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Detalles Bibliográficos
Autores principales: Moosavi, Seyed Mohamad, Chidambaram, Arunraj, Talirz, Leopold, Haranczyk, Maciej, Stylianou, Kyriakos C., Smit, Berend
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6358622/
https://www.ncbi.nlm.nih.gov/pubmed/30710082
http://dx.doi.org/10.1038/s41467-019-08483-9

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6358622/
https://www.ncbi.nlm.nih.gov/pubmed/30710082
http://dx.doi.org/10.1038/s41467-019-08483-9

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