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AMDGT: Attention aware multi-modal fusion using a dual graph transformer for drug–disease associations prediction
Suzhou University of Science and Technology, Suzhou, China; University Of Electronic Science and Technology of China, Quzhou, China.
University of Electronic Science and Technology of China, Quzhou, China; University of Tsukuba, Tsukuba, Japan.
University of Electronic Science and Technology of China, Quzhou, China.ORCID iD: 0000-0001-6406-1142
Suzhou University of Science and Technology, Suzhou, China; University Of Electronic Science and Technology of China, Quzhou, China.
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2024 (English)In: Knowledge-Based Systems, ISSN 0950-7051, E-ISSN 1872-7409, Vol. 284, article id 111329Article in journal (Refereed) Published
Abstract [en]

Identification of new indications for existing drugs is crucial through the various stages of drug discovery. Computational methods are valuable in establishing meaningful associations between drugs and diseases. However, most methods predict the drug–disease associations based solely on similarity data, neglecting valuable biological and chemical information. These methods often use basic concatenation to integrate information from different modalities, limiting their ability to capture features from a comprehensive and in-depth perspective. Therefore, a novel multimodal framework called AMDGT was proposed to predict new drug associations based on dual-graph transformer modules. By combining similarity data and complex biochemical information, AMDGT understands the multimodal feature fusion of drugs and diseases effectively and comprehensively with an attention-aware modality interaction architecture. Extensive experimental results indicate that AMDGT surpasses state-of-the-art methods in real-world datasets. Moreover, case and molecular docking studies demonstrated that AMDGT is an effective tool for drug repositioning. Our code is available at GitHub: https://github.com/JK-Liu7/AMDGT. © 2023 The Author(s)

Place, publisher, year, edition, pages
Amsterdam: Elsevier, 2024. Vol. 284, article id 111329
Keywords [en]
Attention mechanism, Drug repositioning, Drug–disease associations, Graph transformer, Multimodal learning
National Category
Pharmaceutical Sciences
Identifiers
URN: urn:nbn:se:hh:diva-52420DOI: 10.1016/j.knosys.2023.111329Scopus ID: 2-s2.0-85181175754OAI: oai:DiVA.org:hh-52420DiVA, id: diva2:1829285
Note

Funding: The National Natural Science Foundation of China(62073231, 62176175, 62172076), National Research Project (2020YFC2006602), Provincial Key Laboratory for Computer Information Processing Technology, Soochow University, China (KJS2166), Opening Topic Fund of Big Data Intelligent Engineering Laboratory of Jiangsu Province, China (SDGC2157), Postgraduate Research and Practice Innovation Program of Jiangsu Province, China, Zhejiang Provincial Natural Science Foundation of China (Grant No. LY23F020003), and the Municipal Government of Quzhou, China (Grant No. 2023D038).

Available from: 2024-01-18 Created: 2024-01-18 Last updated: 2024-01-18Bibliographically approved

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Tiwari, Prayag

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