Molecular geometric deep learning

Molecular representation learning plays an important role in molecular property prediction. Existing molecular property prediction models rely on the de facto standard of covalent-bond-based molecular graphs for representing molecular topology at the atomic level and totally ignore the non-covalent...

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Detalles Bibliográficos
Autores principales: Shen, Cong, Luo, Jiawei, Xia, Kelin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10694498/
https://www.ncbi.nlm.nih.gov/pubmed/37875121
http://dx.doi.org/10.1016/j.crmeth.2023.100621

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10694498/
https://www.ncbi.nlm.nih.gov/pubmed/37875121
http://dx.doi.org/10.1016/j.crmeth.2023.100621

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