Drug repositioning offers an efficient alternative to de novo drug development; however, accurately identifying potential drug-disease associations remains challenging. Existing methods do not fully exploit higher-order collaborative information at the drug-drug and disease-disease levels, and their feature fusion stra...
Hao Zhang, Jin-Can Li, Xian-Fang Tang et al.· Journal of Chemical Informat...· 0 citations
Predicting drug synergy is essential for optimizing combination therapies in cancer treatment. Under extreme data scarcity, existing computational methods struggle to generalize to new cell lines. Although meta-learning approaches have shown promise, a critical limitation lies in their reliance on a unimodal Gaussian p...
Shuting Jin, Xu Guo, Anqi Huang et al.· Proceedings of the 32nd ACM...· 0 citations
Gene regulatory networks (GRNs) play essential roles in cellular control and various biological processes. Analyzing gene expression data and inferring GRNs provides crucial insights into organismal growth, development, and disease mechanisms. However, prevailing inference approaches often concentrate on a limited gene...
Wei Liu, Xue-Xuan Ma, Xingen Sun et al.· IEEE journal of biomedical a...· 0 citations
GoMA-DTA is proposed, a framework integrating gene ontology (GO) functional annotations with protein semantic features with channelwise gating mechanism that uses functional semantics as anchors to dynamically recalibrate ESM-2embeddings, achieving adaptive semantic filtering.
An Xiong, Zheyu Zhou, Ya-Zi Li et al.· IEEE Transactions on Neural...· 0 citations
MultiGeo is a DTA prediction framework that explicitly leverages multiple protein conformations rather than a single snapshot, and introduces a disagreement-aware gating mechanism that adaptively fuses this ensemble representation with the dominant structure only when the additional conformers provide complementary inf...
Rui-Da Zeng, Cheng Guo, Ya-Jie Meng et al.· Proceedings of the Thirty-Fi...· 0 citations
Accurate prediction of drug-target binding affinity (DTA) is a key task in virtual screening. However, current computational methods face a key challenge: sequence-based approaches often fail to capture critical spatial information, while structure-based models rely on computationally expensive 3D coordinates, which re...
Junlin Xu, Ye Yuan, Menglong Hu et al.· IEEE journal of biomedical a...· 0 citations
MolLingua, a token-centric, dual-modal framework designed for native molecular understanding, uses a dual-branch Residual Vector Quantization engine to discretize heterogeneous, high-dimensional spatial 2D and 3D features into compact code sequences rather than relying solely on continuous projections.
Haoyang Liu, Xikang Feng, Fei Guo et al.· IEEE journal of biomedical a...· 0 citations
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