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Graph Neural Networks with Multiple Feature Extraction Paths for Chemical Property Estimation
Feature extraction is essential for chemical property estimation of molecules using machine learning. Recently, graph neural networks have attracted attention for feature extraction from molecules. However, existing methods focus only on specific structural information, such as node relationship. In...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8197261/ https://www.ncbi.nlm.nih.gov/pubmed/34073745 http://dx.doi.org/10.3390/molecules26113125 |