Enhancing drug repurposing on graphs by integrating drug molecular structure as feature
Adrián Ayuso-Muñoz, Lucia Prieto Santamaría, Andrea Álvarez-Pérez, Belén Otero-Carrasco, Emilio Serrano, Alejandro Rodríguez‐González
This paper improves drug repurposing by integrating 2D drug molecular structures into graph neural networks, achieving higher AUROC and AUPRC scores than previous methods.
Proceedings - IEEE Symposium on Computer-Based Medical Systems · Jun 1, 2023Peer-reviewedBioinformatics