DTGHAT: multi-molecule heterogeneous graph transformer based on multi-molecule graph for drug-target identification
In a 5-fold cross-validation study, DTGHAT achieved an area under the receiver operating characteristic curve (AUC) of 0.9634, which is at least 4% higher than current state-of-the-art methods. Characterization ablation experiments highlight the importance of integrating biomolecular data from multiple sources in revealing drug-target interactions. In addition, a case study on cancer drugs further validates DTGHAT's effectiveness in predicting novel drug target identification. DTGHAT is free and available at: https://github.com/stella-007/DTGHAT.git.
Authors
- Ming Lu (ORCID: https://orcid.org/0000-0003-1574-9850)
- Wenshui Li
- Lu Wen (ORCID: https://orcid.org/0000-0002-1773-1876)
- Xinchen Jiang (ORCID: https://orcid.org/0000-0002-4073-6050)
- Duanlin Que
Institutions
- Hunan Normal University (CN)
Publication Details
- Journal
- Frontiers in Pharmacology
- Published
- 2025-04-28
- DOI
- https://doi.org/10.3389/fphar.2025.1596216
- Citations
- 2
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 3.01
Funders
- National Natural Science Foundation of China
- Natural Science Foundation of Hunan Province