Papers matching “chemical space exploration” 10
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DrugEx: Deep Learning Models and Tools for Exploration of Drug-Like Chemical Space2023 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Martin Šícho, Sohvi Luukkonen, Helle W. van den Maagdenberg, Linde Schoenmaker, Olivier J. M. Béquignon, Gerard J. P. van Westen
40citations -
In Search of Beautiful Molecules: A Perspective on Generative Modeling for Drug Design2025 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Remco L. van den Broek, Shivam Patel, Gerard J. P. van Westen, Willem Jespers, Woody Sherman
37citations -
Reinforcement learning for optimization of variational quantum circuit architectures2021 arXiv (Cornell University) preprint Computer Science Quantum Computing Algorithms and Architecture Open access
Mateusz Ostaszewski, Lea M. Trenkwalder, Wojciech Masarczyk, Eleanor Scerri, Vedran Dunjko
50citations
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