A drug–target affinity prediction model integrating multimodal feature fusion and structural modeling

. In particular, the model exhibits strong generalization and ranking performance on structurally complex datasets such as PDBbind and BindingDB. Our approach offers a more accurate and interpretable solution for modeling drug-target interactions, with promising potential for real-world drug discovery applications. The complete implementation of our framework is publicly available at https://github.com/xu1nan/MUSDTA.

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Publication Details

Journal
Computational Biology and Chemistry
Published
2026-04-11
DOI
https://doi.org/10.1016/j.compbiolchem.2026.109053
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
0.00

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article

A drug–target affinity prediction model integrating multimodal feature fusion and structural modeling

X. H. Xiao, Weizhong Lin, Yinan Xu
Computational Biology and Chemistry
Computational Drug Discovery Methods
article

A drug–target affinity prediction model integrating multimodal feature fusion and structural modeling

X. H. Xiao, Weizhong Lin, Yinan Xu
article en

Abstract

. In particular, the model exhibits strong generalization and ranking performance on structurally complex datasets such as PDBbind and BindingDB. Our approach offers a more accurate and interpretable solution for modeling drug-target interactions, with promising potential for real-world drug discovery applications. The complete implementation of our framework is publicly available at https://github.com/xu1nan/MUSDTA.

Computational Biology and ChemistryVol. 124(Pt 1)
Jingdezhen Ceramic Institute (CN)
National Natural Science Foundation of China
Openalex Percentile: Top 16%
Computational Drug Discovery Methods
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