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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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Dades bibliogràfiques
Publicat a:Nat Commun
Autors principals: von Lilienfeld, O. Anatole, Burke, Kieron
Format: Artigo
Idioma:Inglês
Publicat: Nature Publishing Group UK 2020
Matèries:
Accés en línia: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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