idse-HE: Hybrid embedding graph neural network for drug side effects prediction

Journal of Biomedical Informatics(2022)

引用 8|浏览6
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摘要
idse-HE calculates molecular structure embeddings and molecular fingerprints based on drug smiles, and side effects are represented as unique random vectors. Each node aggregates neighbours and self to update its feature representation. Multiply the drug feature matrix and the side effect feature matrix to reconstruct the adjacency matrix.
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关键词
Drug side effect,Graph neural network,Drug molecular structure,Matrix reconstruction
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