{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,31]],"date-time":"2026-01-31T02:03:11Z","timestamp":1769824991334,"version":"3.49.0"},"reference-count":46,"publisher":"Oxford University Press (OUP)","issue":"1","license":[{"start":{"date-parts":[[2025,1,15]],"date-time":"2025-01-15T00:00:00Z","timestamp":1736899200000},"content-version":"vor","delay-in-days":20,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2024,12,26]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:sec>\n                  <jats:title>Motivation<\/jats:title>\n                  <jats:p>Forecasting the synergistic effects of drug combinations facilitates drug discovery and development, especially regarding cancer therapeutics. While numerous computational methods have emerged, most of them fall short in fully modeling the relationships among clinical entities including drugs, cell lines, and diseases, which hampers their ability to generalize to drug combinations involving unseen drugs. These relationships are complex and multidimensional, requiring sophisticated modeling to capture nuanced interplay that can significantly influence therapeutic efficacy.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Results<\/jats:title>\n                  <jats:p>We present a novel deep hypergraph learning method named Heterogeneous Entity Representation for MEdicinal Synergy (HERMES) prediction to predict the synergistic effects of anti-cancer drugs. Heterogeneous data sources, including drug chemical structures, gene expression profiles, and disease clinical semantics, are integrated into hypergraph neural networks equipped with a gated residual mechanism to enhance high-order relationship modeling. HERMES demonstrates state-of-the-art performance on two benchmark datasets, significantly outperforming existing methods in predicting the synergistic effects of drug combinations, particularly in cases involving unseen drugs.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Availability and implementation<\/jats:title>\n                  <jats:p>The source code is available at https:\/\/github.com\/Christina327\/HERMES.<\/jats:p>\n               <\/jats:sec>","DOI":"10.1093\/bioinformatics\/btae750","type":"journal-article","created":{"date-parts":[[2025,1,16]],"date-time":"2025-01-16T00:09:39Z","timestamp":1736986179000},"source":"Crossref","is-referenced-by-count":3,"title":["Heterogeneous entity representation for medicinal synergy prediction"],"prefix":"10.1093","volume":"41","author":[{"given":"Jiawei","family":"Wu","sequence":"first","affiliation":[{"name":"School of Medicine, National University of Singapore , Singapore 119077,","place":["Singapore"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5067-2647","authenticated-orcid":false,"given":"Jun","family":"Wen","sequence":"additional","affiliation":[{"name":"Harvard Medical School, Harvard University , Boston, MA 02115,","place":["United States"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mingyuan","family":"Yan","sequence":"additional","affiliation":[{"name":"School of Medicine, National University of Singapore , Singapore 119077,","place":["Singapore"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0365-0733","authenticated-orcid":false,"given":"Anqi","family":"Dong","sequence":"additional","affiliation":[{"name":"Division of Decision and Control Systems and Department of Mathematics, KTH Royal Institute of Technology , Stockholm SE-100 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