HIGHLIGHTS
- who: Danh Bui-Thi et al. from the University of Antwerp, Antwerp, Belgium have published the article: Predicting compound-protein interaction using hierarchical graph convolutional networks, in the Journal: PLOS ONE of 30/09/2021
- what: The authors develop a computational method based on convolutional neural networks to tackle a fundamental question in drug discovery and development i.e. the prediction of compound-protein interactions based on compound structure and protein sequence. The authors propose a hierarchical graph convolutional network (HGCN) to encode small molecules. Experiments using different datasets show the improvement of the model . . .
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