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Deep Neural Networks for Multicomponent Molecular Systems

[Image: see text] Deep neural networks (DNNs) represent promising approaches to molecular machine learning (ML). However, their applicability remains limited to single-component materials and a general DNN model capable of handling various multicomponent molecular systems with composition data is st...

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Detalles Bibliográficos
Autor principal: Hanaoka, Kyohei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7450624/
https://www.ncbi.nlm.nih.gov/pubmed/32875241
http://dx.doi.org/10.1021/acsomega.0c02599