A property-oriented adaptive design framework for rapid discovery of energetic molecules based on small-scale labeled datasets

It remains an important challenge to apply machine learning in material discovery with limited-scale datasets available, in particular for the energetic materials. Motivated by the challenge, we developed a Property-oriented Adaptive Design Framework (PADF) to quickly design new energetic compounds...

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Detalles Bibliográficos
Autores principales: Xie, Yunhao, Liu, Yijing, Hu, Renling, Lin, Xu, Hu, Jing, Pu, Xuemei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9037014/
https://www.ncbi.nlm.nih.gov/pubmed/35478886
http://dx.doi.org/10.1039/d1ra03715c

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9037014/
https://www.ncbi.nlm.nih.gov/pubmed/35478886
http://dx.doi.org/10.1039/d1ra03715c

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