Describe Molecules by a Heterogeneous Graph Neural Network with Transformer-like Attention for Supervised Property Predictions

[Image: see text] Machine learning and deep learning have facilitated various successful studies of molecular property predictions. The rapid development of natural language processing and graph neural network (GNN) further pushed the state-of-the-art prediction performance of molecular property to...

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Detalles Bibliográficos
Autores principales: Deng, Daiguo, Lei, Zengrong, Hong, Xiaobin, Zhang, Ruochi, Zhou, Fengfeng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8811943/
https://www.ncbi.nlm.nih.gov/pubmed/35128279
http://dx.doi.org/10.1021/acsomega.1c06389

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8811943/
https://www.ncbi.nlm.nih.gov/pubmed/35128279
http://dx.doi.org/10.1021/acsomega.1c06389

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