A novel multiview feature fusion-based graph representation model (MFF-GRM) for predicting DDI that integrates drug molecular graphs, SMILES sequences, DDI information networks, and drug biological features to learn drug features more comprehensively.
Results indicate that integrating heterogeneous structural cues through coarse- and fine-grained feature interaction provides an effective and scalable solution for DDI prediction.
Results indicate that FragSyn, through the synergistic design of fragment-level representation and cellular context awareness, provides an effective and interpretable new approach to synergistic drug combination prediction.
Li-Feng Shao, Jianqiang Sun, Hong-Zhan Ma et al.· Journal of Chemical Informat...· 0 citations
IHLO-DTI, a novel prediction model based on an improved hypergraph neural network and Laplacian matrix optimization, can effectively capture high-order many-to-many interactions between drugs and targets, improving prediction accuracy and robustness.
Guolongwei Dai, Tao Luo, Dan-Dan Li et al.· ACS Synthetic Biology· 0 citations
Predicting drug–target interactions is critical for drug discovery, yet many deep learning methods overlook atom–residue–level relationships, so PHGDTI is proposed, a multimodal framework that integrates sequence and structural cues for binding prediction.
Hua Qian, Deng Pan, Liangpeng Nie et al.· Journal of Computational Bio...· 0 citations
Experiments demonstrate that HSAF-DDI achieves superior overall performance compared to state-of-the-art methods, indicating the critical role of fine-grained biological features in improving the DDI prediction performance.
Xiaoli Lin, Si-Yuan Zhang, Bo Li et al.· Journal of Chemical Informat...· 0 citations
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