Retrospective on a decade of machine learning for chemical discovery

Standfirst 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 electron...

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Autores principales: O. Anatole von Lilienfeld, Kieron Burke
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2020
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Acceso en línea:https://doaj.org/article/df8a833a0e9a45df941e56a6116b39e1
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