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Generate what you can make: achieving in-house synthesizability with readily available resources in de novo drug design2025 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access
Alan Kai Hassen, Martin Šícho, Yorick J. van Aalst, Mirjam C. W. Huizenga, Darcy N. R. Reynolds, Sohvi Luukkonen, +5 more
15citations -
Expressivity of parameterized and data-driven representations in quality diversity search2021 Genetic and Evolutionary Computation Conference (GECCO) conference-paper Computer Science Evolutionary Algorithms and Applications Open access
Alexander Hagg, Sebastian Berns, Alexander Asteroth, Simon Colton, Thomas Bäck
13citations -
AlphaFold Meets De Novo Drug Design: Leveraging Structural Protein Information in Multitarget Molecular Generative Models2024 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Andrius Bernatavicius, Martin Šícho, Antonius P. A. Janssen, Alan Kai Hassen, Mike Preuß, Gerard J. P. van Westen
20citations -
People Make Better Edits: Measuring the Efficacy of LLM-Generated Counterfactually Augmented Data for Harmful Language Detection2023 Conference on Empirical Methods in Natural Language Processing (EMNLP) conference-paper Computer Science Hate Speech and Cyberbullying Detection Open access
Indira Sen, Dennis Assenmacher, Mattia Samory, Isabelle Augenstein, Wil M. P. van der Aalst, Claudia Wagner
8citations