ABT-MPNN: an atom-bond transformer-based message-passing neural network for molecular property prediction

Graph convolutional neural networks (GCNs) have been repeatedly shown to have robust capacities for modeling graph data such as small molecules. Message-passing neural networks (MPNNs), a group of GCN variants that can learn and aggregate local information of molecules through iterative message-pass...

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Detalles Bibliográficos
Autores principales: Liu, Chengyou, Sun, Yan, Davis, Rebecca, Cardona, Silvia T., Hu, Pingzhao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9968697/
https://www.ncbi.nlm.nih.gov/pubmed/36843022
http://dx.doi.org/10.1186/s13321-023-00698-9

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9968697/
https://www.ncbi.nlm.nih.gov/pubmed/36843022
http://dx.doi.org/10.1186/s13321-023-00698-9

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