Papers matching “graph structure learning” 52
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An AI-integrated pharmacophore and transcriptomic framework for rapid discovery of therapeutic leads for ischemic stroke2026 Targetome article Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
Jinran Li, Zheng Zhou, Yongjun Zhao, Sai Liu, Long Chen, Yiting Shi, +8 more
0citations -
Knowledge Graphs and Explainable Artificial Intelligence (AI) for Drug Repurposing on Rare Diseases2026 Neurosymbolic Artificial Intelligence article Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
Pablo Perdomo-Quinteiro, Katherine Wolstencroft, Marco Roos, Núria Queralt-Rosiñach
6citations -
Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-dimensional optimization2025 Nature Communications article Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
David F. Nippa, Kenneth Atz, Yannick Stenzhorn, Alex T. Müller, Andreas Tosstorff, Jörg Benz, +17 more
11citations -
Design and evaluation of semantically-valid negative samples integration techniques for scalable semi-automated drug repurposing prediction pipelines in rare disease research2citations