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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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Detalhes bibliográficos
Publicado no:Nat Commun
Main Authors: Moosavi, Seyed Mohamad, Chidambaram, Arunraj, Talirz, Leopold, Haranczyk, Maciej, Stylianou, Kyriakos C., Smit, Berend
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group UK 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6358622/
https://ncbi.nlm.nih.gov/pubmed/30710082
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41467-019-08483-9
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