Spatial transcriptomics (STs) have become a valuable approach for understanding the growth and development of organisms. Despite the recent emergence of numerous ST models, accurately identifying spatial domains remains challenging owing to the trade-off between preserving local details and reducing noise. Here, we int...
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
DiffPro, a novel framework that integrates a Latent Diffusion Model (LDM) as a structural prior, confirms that the diffusion prior successfully regularizes the latent space, mitigating task representation collapse and enabling robust, high-precision predictions for combination therapy design.
Shu-Ting Jin, Xu Guo, An-Qi Huang et al.· Proceedings of the 32nd ACM...· 0 citations
A novel network structure selection method for GRN construction (NSSGRN), which considers the isomorphism and complementarity of network structures generated by several classical methods, and integrates them to infer the network structure.
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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