Papers matching “graph structure learning” 145
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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 -
Amortized Molecular Optimization via Group Relative Policy Optimization2026 arXiv (Cornell University) preprint Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
Muhammad bin Javaid, Hasham Hussain, Ashima Khanna, Berke Kisin, Jonathan Pirnay, Alexander Mitsos, +2 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 -
Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-objective molecular optimization2025 ChemRxiv preprint 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
3citations -
Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-objective molecular optimization2025 ChemRxiv preprint 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
1citations -
Defining Cases and Variants for Object-Centric Event Data2022 International Conference on Process Mining (ICPM) conference-paper Business, Management and Accounting Business Process Modeling and Analysis cited by 3 patents
Jan Niklas Adams, Daniel Schuster, Seth Schmitz, Günther Schuh, Wil M. P. van der Aalst
45citations