Article

ECLIPSE: Exploration of Complex Ligand-Protein Interactions through Learning from Systems-level Heterogeneous Biomedical Knowledge Graphs

2025-11-07

Abstract excerpt

Discovering new, efficacious molecules remains slow and costly; rigorous data science-driven systems-level approaches are therefore essential to prioritise hypotheses and de-risk drug development. In this study, we present ECLIPSE, a systems-level framework for compound/ligand–protein interaction (CPI) representation and prediction, combining heterogeneous knowledge graphs (KGs), which encode large-scale entity–re...

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Literature Corpus work: 684061ad-cbe8-58cb-8b57-00d02baed6b7
DOI: 10.1101/2025.11.05.686382

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