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Multi-order graph attention network for water solubility prediction and interpretation
The water solubility of molecules is one of the most important properties in various chemical and medical research fields. Recently, machine learning-based methods for predicting molecular properties, including water solubility, have been extensively studied due to the advantage of effectively reduc...
| Autores principales: | , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9981901/ https://www.ncbi.nlm.nih.gov/pubmed/36864064 http://dx.doi.org/10.1038/s41598-022-25701-5 |