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...

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Detalles Bibliográficos
Autores principales: Zhang, Ziqiao, Guan, Jihong, Zhou, Shuigeng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2021
Materias:
Original Papers
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

Internet

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

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