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MGraphDTA: deep multiscale graph neural network for explainable drug–target binding affinity prediction
Predicting drug–target affinity (DTA) is beneficial for accelerating drug discovery. Graph neural networks (GNNs) have been widely used in DTA prediction. However, existing shallow GNNs are insufficient to capture the global structure of compounds. Besides, the interpretability of the graph-based DT...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8768884/ https://www.ncbi.nlm.nih.gov/pubmed/35173947 http://dx.doi.org/10.1039/d1sc05180f |