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Machine learning for chemical discovery

Discovering chemicals with desired attributes is a long and painstaking process. Curated datasets containing reliable quantum-mechanical properties for millions of molecules are becoming increasingly available. The development of novel machine learning tools to obtain chemical knowledge from these d...

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Detalles Bibliográficos
Autor principal: Tkatchenko, Alexandre
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7431574/
https://www.ncbi.nlm.nih.gov/pubmed/32807794
http://dx.doi.org/10.1038/s41467-020-17844-8