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DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacology2021 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access
Xuhan Liu, Kai Ye, Herman van Vlijmen, Michael Emmerich, Adriaan P. IJzerman, Gerard J. P. van Westen
118citations -
Data-driven Product-Process Optimization of N-isopropylacrylamide Microgel Flow-Synthesis2023 arXiv (Cornell University) preprint Computer Science Advanced Multi-Objective Optimization Algorithms Open access
Luise F. Kaven, Artur M. Schweidtmann, Jana Israel, Nadja Wolter, Alexander Mitsos
0citations -
Accelerating Deep Learning Inference in Constrained Embedded Devices Using Hardware Loops and a Dot Product Unit2020 IEEE Access article Computer Science Parallel Computing and Optimization Techniques Open access cited by 1 patent
Jure Vreča, Karl J. X. Sturm, Ernest Gungl, Farhad Merchant, Paolo Bientinesi, Rainer Leupers, +1 more
17citations -
Working across Scales: Shared Building-Blocks of a Sustainable Infrastructure Environment for Bio/Geodiversity Data2025 Biodiversity Information Science and Standards article Computer Science Research Data Management Practices Open access
Jutta Buschbom, James Macklin, Deborah Paul, Elizabeth R. Ellwood, Alina Freire‐Fierro, Wouter Addink, +6 more
0citations -
Demonstrating Data-to-Knowledge Pipelines for Connecting Production Sites in the World Wide Lab2026 Machine Learning and Knowledge Extraction article Computer Science Research Data Management Practices Open access
Leon Gorißen, Jan-Niklas Schneider, Mohamed Behery, Philipp Brauner, David Kötter, Thomas Käster, +7 more
2citations
25 results