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Federated learning of molecular properties with graph neural networks in a heterogeneous setting

Chemistry research has both high material and computational costs to conduct experiments. Intuitions are interested in differing classes of molecules, creating heterogeneous data that cannot be easily joined by conventional methods. This work introduces federated heterogeneous molecular learning. Fe...

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Detalles Bibliográficos
Autores principales: Zhu, Wei, Luo, Jiebo, White, Andrew D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9214329/
https://www.ncbi.nlm.nih.gov/pubmed/35755872
http://dx.doi.org/10.1016/j.patter.2022.100521