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◆ Journal of computer-aided molecular design2026-08-29

A dual-view fusion framework using residual gated graph convolution and Mamba for metabolite-disease association prediction with explorations on salivary metabolites.

Pengli Lu, Lei Yang, Ping Xie, Fentang Gao, Jianfeng Li

原始摘要(英文原文)· Original abstract
Metabolites are important indicators of physiological and pathological states, and their alterations are closely associated with disease prediction. Therefore, prediction of metabolite-disease associations is valuable for disease research and biomarker discovery. Here, we propose DFFRGM, a dual-view fusion framework that integrates residual gated graph convolution and Mamba-based multi-hop dependency modeling for metabolite-disease association prediction. The framework jointly learns from homogeneous similarity networks and heterogeneous association networks, and then fuses the two views through bidirectional cross-attention. On two datasets, DFFRGM achieved AUC values of 98.54 and 98.89%, together with AUPR values of 98.61 and 98.91%. To further examine its applicability in a biofluid-specific scenario, we additionally constructed a salivary metabolite-disease dataset from the HMDB salivary metabolite resource. Validation on this dataset further supported the applicability of DFFRGM in saliva-oriented metabolite-disease association prediction.
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A dual-view fusion framework using residual gated graph convolution and Mamba for metabolite-disease association prediction with explorations on salivary metabolites. — 科研速览 Science Skim