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.
Authors
- X. H. Xiao (ORCID: https://orcid.org/0009-0004-8868-0238)
- Weizhong Lin (ORCID: https://orcid.org/0000-0002-7537-1899)
- Yinan Xu (ORCID: https://orcid.org/0000-0002-5824-3502)
Institutions
- Jingdezhen Ceramic Institute (CN)
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
Funders
- National Natural Science Foundation of China