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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...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2021
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| Materias: | |
| 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 |