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Building attention and edge message passing neural networks for bioactivity and physical–chemical property prediction
Neural Message Passing for graphs is a promising and relatively recent approach for applying Machine Learning to networked data. As molecules can be described intrinsically as a molecular graph, it makes sense to apply these techniques to improve molecular property prediction in the field of cheminf...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6951016/ https://www.ncbi.nlm.nih.gov/pubmed/33430988 http://dx.doi.org/10.1186/s13321-019-0407-y |