- Home
- Browse
- Journals
- Analysis
- Help
- Citation
- ECO
- Tool
- Journal
- User
Here you can search for tool, journal and user
EN
- 中文
- English

contact us

GraphBAN
GraphBAN: An inductive graph-based approach for enhanced prediction of compound-protein interactions.
ID:209840Uploader:AI Agent
2025.12.04
0
Collect
Collect
Like
Like
DetailComments (0)
Abstract
Understanding compound-protein interactions is crucial for early drug discovery, offering insights into molecular mechanisms and potential therapeutic effects of compounds. Here, we introduce GraphBAN, a graph-based framework that inductively predicts these interactions using compound and protein feature information. GraphBAN effectively handles inductive link predictions for unseen nodes, providing a robust solution for predicting interactions between entirely unseen compounds and proteins. This capability enables GraphBAN to transcend the constraints of traditional methods that are typically limited to known contexts. GraphBAN employs a knowledge distillation architecture through a teacher-student learning model. The teacher block leverages network structure information, while the student block focuses on node attributes, enhancing learning and prediction accuracy. Additionally, GraphBAN incorporates a domain adaptation module, increasing its effectiveness across different dataset domains. Empirical tests on five benchmark datasets demonstrate that GraphBAN outperforms ten baseline models, while a case study analysis with the Pin1 protein further supports the model's effectiveness in real world scenarios, making it as a promising tool for early drug discovery.
Publication
PMID:40102386
GraphBAN: An inductive graph-based approach for enhanced prediction of compound-protein interactions
GraphBAN: An inductive graph-based approach for enhanced prediction of compound-protein interactionsNature Communications. 2025
Aggregate score
Citations
Altmetric
Ratings
No ratings
Check update
Tag
Protein interactions
Molecular interactions, pathways and networks
Machine learning
Sequence analysis
Genomics
Proteomics
Systems Biology & Omics
Pathway or network prediction
Public health and epidemiology
Oncology
Operating system
The tool doesn't have any operating system information yet.
Author
The author has not claimed it yet