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Graph Comparison of Molecular Crystals in Band Gap Prediction Using Neural Networks
[Image: see text] In material informatics, the representation of the material structure is fundamentally essential to obtaining better prediction results, and graph representation has attracted much attention in recent years. Molecular crystals can be graphically represented in molecular and crystal...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10601046/ https://www.ncbi.nlm.nih.gov/pubmed/37901497 http://dx.doi.org/10.1021/acsomega.3c05224 |