Learning motif features and topological structure of molecules for metabolic pathway prediction

Abstract Metabolites serve as crucial biomarkers for assessing disease progression and understanding underlying pathogenic mechanisms. However, when the metabolic pathway category of metabolites is unknown, researchers face challenges in conducting metabolomic analyses. Due to the complexity of wet...

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Bibliographic Details
Main Authors: Jianguo Hu, Yiqing Zhang, Jinxin Xie, Zhen Yuan, Zhangxiang Yin, Shanshan Shi, Honglin Li, Shiliang Li
Format: Article
Language:English
Published: BMC 2025-04-01
Series:Journal of Cheminformatics
Online Access:https://doi.org/10.1186/s13321-025-00994-6
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