BioWalk-MDA: a novel approach for large-scale predicting metabolite-drug associations based on multi layered biomedical knowledge graphs.

ABSTRACT: Metabolism is fundamental to sustaining human life, with changes in metabolite levels closely related to the occurrence and progression of diseases. The interaction between metabolites and drugs is intricate, encompassing drugs can modulate metabolite concentrations, as well as the metabolites generated through drug metabolism can influence pharmacological toxicity and drug interactions. Currently, a substantial proportion of metabolite-drug associations remains to be fully elucidated, and the data from individual sources are often characterized by incompleteness and noise. Here, we present BioWalk-MDA, a computational framework for large-scale predicting novel interactions between 8354 metabolites and 11 570 drugs. The framework constructs multilayered biomedical knowledge graphs (Multi-B

SUBMITTER: Wu X 

PROVIDER: S-EPMC12450351 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature