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Applying machine learning techniques to predict the properties of energetic materials
We present a proof of concept that machine learning techniques can be used to predict the properties of CNOHF energetic molecules from their molecular structures. We focus on a small but diverse dataset consisting of 109 molecular structures spread across ten compound classes. Up until now, candidat...
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| Publicado no: | Sci Rep |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5998124/ https://ncbi.nlm.nih.gov/pubmed/29899464 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-018-27344-x |
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