Hierarchical graph representation learning for the prediction of drug-target binding affinity

Zhaoyang Chu; Feng Huang; Haitao Fu; Quan Yuan; Xionghui Zhou; Shichao Liu; Wen Zhang

doi:10.1016/j.ins.2022.09.043

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Hierarchical graph representation learning for the prediction of drug-target binding affinity

Zhaoyang Chu Feng Huang Haitao Fu Quan Yuan Xionghui Zhou Shichao Liu Wen Zhang

Year: 2022 Journal: Information Sciences Vol: 613 Pages: 507-523 Publisher: Elsevier BV

DOI: 10.1016/j.ins.2022.09.043

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Keywords:

Computer science Inference Graph Benchmark (surveying) Representation (politics) Similarity (geometry) Machine learning Artificial intelligence Drug target Drug discovery Data mining Theoretical computer science Chemistry

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Computational Drug Discovery Methods

Physical Sciences → Computer Science → Computational Theory and Mathematics

Protein Structure and Dynamics

Life Sciences → Biochemistry, Genetics and Molecular Biology → Molecular Biology

Machine Learning in Materials Science

Physical Sciences → Materials Science → Materials Chemistry

Hierarchical graph representation learning for the prediction of drug-target binding affinity

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