HyperPCM: Robust task-conditioned modeling of drug–target interactions E Svensson, PJ Hoedt, S Hochreiter, G Klambauer Journal of Chemical Information and Modeling 64 (7), 2539-2553, 2024 | 9 | 2024 |
Robust task-specific adaption of models for drug-target interaction prediction E Svensson, PJ Hoedt, S Hochreiter, G Klambauer NeurIPS 2022 AI for Science: Progress and Promises, 2022 | 5 | 2022 |
Towards Reliable Uncertainty Estimates for Drug Discovery: A Large-scale Temporal Study of Probability Calibration HR Friesacher, E Svensson, A Arany, L Mervin, O Engkvist ICML 2024 AI for Science: Scaling in AI for Scientific Discovery, 2024 | 3 | 2024 |
Enhancing uncertainty quantification in drug discovery with censored regression labels E Svensson, HR Friesacher, S Winiwarter, L Mervin, A Arany, O Engkvist Artificial Intelligence in the Life Sciences, 100128, 2025 | 2 | 2025 |
Registries in Machine Learning-Based Drug Discovery: A Shortcut to Code Reuse PBR Hartog, E Svensson, L Mervin, S Genheden, O Engkvist, IV Tetko International Workshop on AI in Drug Discovery 14894, 98-115, 2024 | 2 | 2024 |
Temporal Evaluation of Uncertainty Quantification Under Distribution Shift E Svensson, HR Friesacher, A Arany, L Mervin, O Engkvist International Workshop on AI in Drug Discovery 14894, 132-148, 2024 | 1 | 2024 |
Temporal Evaluation of Probability Calibration with Experimental Errors HR Friesacher, E Svensson, A Arany, L Mervin, O Engkvist International Workshop on AI in Drug Discovery 14894, 13-20, 2024 | 1 | 2024 |
Expanding the chemical space using a chemical reaction knowledge graph E Rydholm, T Bastys, E Svensson, C Kannas, O Engkvist, T Kogej Digital Discovery 3 (7), 1378-1388, 2024 | 1 | 2024 |
Task-conditioned modeling of drug-target interactions E Svensson, PJ Hoedt, S Hochreiter, G Klambauer ELLIS ML4Molecules workshop, 2022 | 1 | 2022 |
Discovering Novel Chemical Reactions E Rydholm, E Svensson | 1 | 2021 |
Temporal Distribution Shift in Real-World Pharmaceutical Data: Implications for Uncertainty Quantification in QSAR Models HR Friesacher, E Svensson, S Winiwarter, L Mervin, A Arany, O Engkvist arXiv preprint arXiv:2502.03982, 2025 | | 2025 |
NETWORK ANALYSIS OF THE ORGANIC CHEMISTRY IN PATENTS, LITERATURE, AND PHARMACEUTICAL INDUSTRY T Kogej, E Svensson, E Rydholm, T Bastys, C Kannas, M Kabeshov, ... | | 2024 |
Developing a Self-learning Intelligent Agent in StarCraft II-Deep Reinforcement Learning with Imitation Learning KR Chiu Falck, N Johansson, E Svensson, M Veintie, F Wang, D Willim | | 2019 |