Exploring complex and heterogeneous correlations on hypergraph for the prediction of drug-target interactions
Bibliographic record
Abstract
The continuous emergence of drug-target interaction data provides an opportunity to construct a biological network for systematically discovering unknown interactions. However, this is challenging due to complex and heterogeneous correlations between drug and target. Here, we describe a heterogeneous hypergraph-based framework for drug-target interaction (HHDTI) predictions by modeling biological networks through a hypergraph, where each vertex represents a drug or a target and a hyperedge indicates existing similar interactions or associations between the connected vertices. The hypergraph is then trained to generate suitably structured embeddings for discovering unknown interactions. Comprehensive experiments performed on four public datasets demonstrate that HHDTI achieves significant and consistently improved predictions compared with state-of-the-art methods. Our analysis indicates that this superior performance is due to the ability to integrate heterogeneous high-order information from the hypergraph learning. These results suggest that HHDTI is a scalable and practical tool for uncovering novel drug-target interactions.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.003 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.003 | 0.002 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.001 | 0.002 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 0.002 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".