| BFpack: Flexible Bayes factor testing of scientific theories in R J Mulder, X Gu, A Olsson-Collentine, A Tomarken, F Böing-Messing, ... Journal of Statistical Software, 2019 | 50 | 2019 |
| Using domain-specific fingerprints generated through neural networks to enhance ligand-based virtual screening J Menke, O Koch Journal of Chemical Information and Modeling 61 (2), 664-675, 2021 | 26 | 2021 |
| Natural product scores and fingerprints extracted from artificial neural networks J Menke, J Massa, O Koch Computational and Structural Biotechnology Journal 19, 4593-4602, 2021 | 21 | 2021 |
| Computational Ion Channel Research: from the Application of Artificial Intelligence to Molecular Dynamics Simulations J Menke, S Maskri, O Koch Cell Physiol Biochem 55 (S3), 14-45, 2021 | 17 | 2021 |
| Introduction to artificial intelligence and deep learning using interactive electronic programming notebooks J Menke, S Homberg, O Koch Archiv der Pharmazie 356 (7), 2200628, 2023 | 6 | 2023 |
| Similarity-based pairing improves efficiency of siamese neural networks for regression tasks and uncertainty quantification Y Zhang, J Menke, J He, E Nittinger, C Tyrchan, O Koch, H Zhao Journal of Cheminformatics 15 (1), 75, 2023 | 4 | 2023 |
| Metis: a python-based user interface to collect expert feedback for generative chemistry models J Menke, Y Nahal, EJ Bjerrum, M Kabeshov, S Kaski, O Engkvist Journal of Cheminformatics 16 (1), 100, 2024 | | 2024 |
| Human-in-the-loop active learning for goal-oriented molecule generation Y Nahal, J Menke, J Martinelli, M Heinonen, M Kabeshov, JP Janet, ... | | 2024 |
| Interpreting Graph Neural Networks with Myerson Values for Cheminformatics Approaches SKR Homberg, ML Modlich, J Menke, GM Morris, B Risse, O Koch | | 2024 |
| Python-Based Interactive RDKit Molecule Editing with rdEditor EJ Bjerrum, K Palunas, J Menke | | 2024 |
| Improving Ligand-based Virtual Screening by Utilizing Neural Networks to Generate Domain-specific Molecular Representations J Menke Westfälische Wilhelms-Universität Münster, 2022 | | 2022 |
Samuel HombergPhD Student in Computational Drug Design, University of Münster在 uni-muenster.de 的电子邮件经过验证
