{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,19]],"date-time":"2026-07-19T08:08:29Z","timestamp":1784448509251,"version":"3.55.0"},"reference-count":54,"publisher":"Oxford University Press (OUP)","issue":"1","license":[{"start":{"date-parts":[[2024,1,15]],"date-time":"2024-01-15T00:00:00Z","timestamp":1705276800000},"content-version":"vor","delay-in-days":54,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["62072376"],"award-info":[{"award-number":["62072376"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100021171","name":"Guangdong Basic and Applied Basic Research Foundation","doi-asserted-by":"publisher","award":["2022A1515010144"],"award-info":[{"award-number":["2022A1515010144"]}],"id":[{"id":"10.13039\/501100021171","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Innovation Capability Support Program of Shaanxi","award":["2022KJXX-75"],"award-info":[{"award-number":["2022KJXX-75"]}]},{"DOI":"10.13039\/501100012226","name":"Fundamental Research Funds for the Central Universities","doi-asserted-by":"publisher","award":["D5000230056"],"award-info":[{"award-number":["D5000230056"]}],"id":[{"id":"10.13039\/501100012226","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2023,11,22]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>Identifying the binding affinity between a drug and its target is essential in drug discovery and repurposing. Numerous computational approaches have been proposed for understanding these interactions. However, most existing methods only utilize either the molecular structure information of drugs and targets or the interaction information of drug\u2013target bipartite networks. They may fail to combine the molecule-scale and network-scale features to obtain high-quality representations. In this study, we propose CSCo-DTA, a novel cross-scale graph contrastive learning approach for drug-target binding affinity prediction. The proposed model combines features learned from the molecular scale and the network scale to capture information from both local and global perspectives. We conducted experiments on two benchmark datasets, and the proposed model outperformed existing state-of-art methods. The ablation experiment demonstrated the significance and efficacy of multi-scale features and cross-scale contrastive learning modules in improving the prediction performance. Moreover, we applied the CSCo-DTA to predict the novel potential targets for Erlotinib and validated the predicted targets with the molecular docking analysis.<\/jats:p>","DOI":"10.1093\/bib\/bbad516","type":"journal-article","created":{"date-parts":[[2024,1,15]],"date-time":"2024-01-15T07:42:27Z","timestamp":1705304547000},"source":"Crossref","is-referenced-by-count":30,"title":["Predicting drug\u2013target binding affinity with cross-scale graph contrastive learning"],"prefix":"10.1093","volume":"25","author":[{"given":"Jingru","family":"Wang","sequence":"first","affiliation":[{"name":"School of Computer Science, Northwestern Polytechnical University , Xi\u2019an, 710072 , China"},{"name":"Key Laboratory of Big Data Storage and Management, Northwestern Polytechnical University , Ministry of Industry and Information Technology, Xi\u2019an, 710072 , China"},{"name":"The National Engineering Laboratory for Integrated Aerospace-Ground-Ocean Big Data Application Technology , Xi\u2019an, 710072 , China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yihang","family":"Xiao","sequence":"additional","affiliation":[{"name":"School of Computer Science, Northwestern Polytechnical University , Xi\u2019an, 710072 , China"},{"name":"Key Laboratory of Big Data Storage and Management, Northwestern Polytechnical University , Ministry of Industry and Information Technology, Xi\u2019an, 710072 , China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xuequn","family":"Shang","sequence":"additional","affiliation":[{"name":"School of Computer Science, Northwestern Polytechnical University , Xi\u2019an, 710072 , China"},{"name":"Key Laboratory of Big Data Storage and Management, Northwestern Polytechnical University , Ministry of Industry and Information Technology, Xi\u2019an, 710072 , China"},{"name":"The National Engineering Laboratory for Integrated Aerospace-Ground-Ocean Big Data Application Technology , Xi\u2019an, 710072 , 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