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Multi-objective synthesis planning by means of Monte Carlo Tree search2025 Artificial Intelligence in the Life Sciences article Computer Science Computational Drug Discovery Methods Open access
Helen Lai, Christos C. Kannas, Alan Kai Hassen, Emma Granqvist, Annie M. Westerlund, Djork-Arné Clevert, +2 more
5citations -
Mind the Retrosynthesis Gap: Bridging the divide between Single-step and Multi-step Retrosynthesis Prediction2022 arXiv (Cornell University) preprint Computer Science Computational Drug Discovery Methods Open access
Alan Kai Hassen, Paula Torren-Peraire, Samuel Genheden, Jonas Verhoeven, Mike Preuß, Igor V. Tetko
6citations -
Combining Bayesian and Evidential Uncertainty Quantification for Improved Bioactivity Modeling2025 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Kajetan Schweighofer, Natalia Dyubankova, Gerard J. P. van Westen, Herman van Vlijmen
8citations -
Deep learning based automated left ventricle segmentation and flow quantification in 4D flow cardiac MRI2024 Journal of Cardiovascular Magnetic Resonance article Computer Science Medical Image Segmentation Techniques Open access
Xiaowu Sun, Li‐Hsin Cheng, Sven Plein, Pankaj Kumar Garg, Rob J. van der Geest
28citations