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Drug–Target Interaction Prediction Based on an Interactive Inference Network
Chen, Yuqi1; Liang, Xiaomin1; Du, Wei2; Liang, Yanchun2; Wong, Garry3; Chen, Liang1
2024-07-01
Source PublicationInternational Journal of Molecular Sciences
ISSN1661-6596
Volume25Issue:14Pages:7753
Abstract

Drug–target interactions underlie the actions of chemical substances in medicine. Moreover, drug repurposing can expand use profiles while reducing costs and development time by exploiting potential multi-functional pharmacological properties based upon additional target interactions. Nonetheless, drug repurposing relies on the accurate identification and validation of drug–target interactions (DTIs). In this study, a novel drug–target interaction prediction model was developed. The model, based on an interactive inference network, contains embedding, encoding, interaction, feature extraction, and output layers. In addition, this study used Morgan and PubChem molecular fingerprints as additional information for drug encoding. The interaction layer in our model simulates the drug–target interaction process, which assists in understanding the interaction by representing the interaction space. Our method achieves high levels of predictive performance, as well as interpretability of drug–target interactions. Additionally, we predicted and validated 22 Alzheimer’s disease-related targets, suggesting our model is robust and effective and thus may be beneficial for drug repurposing.

KeywordConvolutional Neural Network Drug Repurposing Dti Interactive Inference Network Self-attention
DOI10.3390/ijms25147753
URLView the original
Indexed BySCIE
Language英語English
WOS Research AreaBiochemistry & Molecular Biology ; Chemistry
WOS SubjectBiochemistry & Molecular Biology ; Chemistry, Multidisciplinary
WOS IDWOS:001277571300001
PublisherMDPI, ST ALBAN-ANLAGE 66, CH-4052 BASEL, SWITZERLAND
Scopus ID2-s2.0-85199804018
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Citation statistics
Document TypeJournal article
CollectionFaculty of Health Sciences
Corresponding AuthorChen, Liang
Affiliation1.College of Mathematics and Computer, Shantou University, Shantou, 515063, China
2.Key Laboratory of Symbol Computation and Knowledge Engineering of Ministry of Education, College of Computer Science and Technology, Jilin University, Changchun, 130012, China
3.Faculty of Health Sciences, University of Macau, Taipa, 999078, Macao
Recommended Citation
GB/T 7714
Chen, Yuqi,Liang, Xiaomin,Du, Wei,et al. Drug–Target Interaction Prediction Based on an Interactive Inference Network[J]. International Journal of Molecular Sciences, 2024, 25(14), 7753.
APA Chen, Yuqi., Liang, Xiaomin., Du, Wei., Liang, Yanchun., Wong, Garry., & Chen, Liang (2024). Drug–Target Interaction Prediction Based on an Interactive Inference Network. International Journal of Molecular Sciences, 25(14), 7753.
MLA Chen, Yuqi,et al."Drug–Target Interaction Prediction Based on an Interactive Inference Network".International Journal of Molecular Sciences 25.14(2024):7753.
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