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.

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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

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article

DTGHAT: multi-molecule heterogeneous graph transformer based on multi-molecule graph for drug-target identification

Ming Lu, Wenshui Li, Lu Wen, Xinchen Jiang et al.
2 citations
Frontiers in Pharmacology
Computational Drug Discovery Methods
3.01
article

DTGHAT: multi-molecule heterogeneous graph transformer based on multi-molecule graph for drug-target identification

Ming Lu, Wenshui Li, Lu Wen, Xinchen Jiang, Duanlin Que
article en
2 citations

Abstract

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.

Frontiers in PharmacologyVol. 16
Hunan Normal University (CN)
National Natural Science Foundation of China, Natural Science Foundation of Hunan Province
Openalex Percentile: Top 9%
Computational Drug Discovery Methods
3.01
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