ChemGrapher: optical graph recognition of chemical compounds by deep learning M Oldenhof, A Arany, Y Moreau, J Simm Journal of chemical information and modeling 60 (10), 4506-4517, 2020 | 55 | 2020 |
Melloddy: Cross-pharma federated learning at unprecedented scale unlocks benefits in qsar without compromising proprietary information W Heyndrickx, L Mervin, T Morawietz, N Sturm, L Friedrich, A Zalewski, ... Journal of chemical information and modeling, 2023 | 25 | 2023 |
Industry-scale orchestrated federated learning for drug discovery M Oldenhof, G Ács, B Pejó, A Schuffenhauer, N Holway, N Sturm, ... Proceedings of the AAAI Conference on Artificial Intelligence 37 (13), 15576 …, 2023 | 22 | 2023 |
SparseChem: Fast and accurate machine learning model for small molecules A Arany, J Simm, M Oldenhof, Y Moreau arXiv preprint arXiv:2203.04676, 2022 | 7 | 2022 |
Conformal efficiency as a metric for comparative model assessment befitting federated learning W Heyndrickx, A Arany, J Simm, A Pentina, N Sturm, L Humbeck, L Mervin, ... Artificial Intelligence in the Life Sciences 3, 100070, 2023 | 6 | 2023 |
Self-labeling of fully mediating representations by graph alignment M Oldenhof, A Arany, Y Moreau, J Simm Artificial Intelligence and Machine Learning: 33rd Benelux Conference on …, 2022 | 3 | 2022 |
An improvement of quantum parametric methods by using SGSA parameterization technique and new elementary parametric functionals M Sanchez, M Oldenhof, JA Freitez, KC Mundim, F Ruette International Journal of Quantum Chemistry 110 (3), 755-764, 2010 | 3 | 2010 |
Weakly Supervised Knowledge Transfer with Probabilistic Logical Reasoning for Object Detection M Oldenhof, A Arany, Y Moreau, E De Brouwer The Eleventh International Conference on Learning Representations, 2023 | 2 | 2023 |
Atom-Level Optical Chemical Structure Recognition with Limited Supervision M Oldenhof, E De Brouwer, A Arany, Y Moreau arXiv preprint arXiv:2404.01743, 2024 | | 2024 |
Updating Object Detection Models with Probabilistic Programming M Oldenhof, Á Arany, Y Moreau, E De Brouwer ICML workshop - UpML, 2022 | | 2022 |
Integración de interfaces web con el portal grid GENIUS M Oldenhof, C Mendoza Memorias del Congreso Latinoamericano de Computación de Alto Rendimiento …, 2007 | | 2007 |
Developments in quantum parametric methods using parameterization techniques and new functionals and applications F Ruette, M Sánchez, M Oldenhof, JA Freitez, KC Mundim | | |