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Retrospective on a decade of machine learning for chemical discovery

Over the last decade, we have witnessed the emergence of ever more machine learning applications in all aspects of the chemical sciences. Here, we highlight specific achievements of machine learning models in the field of computational chemistry by considering selected studies of electronic structur...

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Detalhes bibliográficos
Publicado no:Nat Commun
Main Authors: von Lilienfeld, O. Anatole, Burke, Kieron
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group UK 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7525448/
https://ncbi.nlm.nih.gov/pubmed/32994393
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41467-020-18556-9
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