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FraGAT: a fragment-oriented multi-scale graph attention model for molecular property prediction
MOTIVATION: Molecular property prediction is a hot topic in recent years. Existing graph-based models ignore the hierarchical structures of molecules. According to the knowledge of chemistry and pharmacy, the functional groups of molecules are closely related to its physio-chemical properties and bi...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Oxford University Press
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8479684/ https://www.ncbi.nlm.nih.gov/pubmed/33769437 http://dx.doi.org/10.1093/bioinformatics/btab195 |