Temporal Evaluation of Probability Calibration with Experimental Errors. - Hannah Rosa Friesacher; Emma Svensson; Adam Arany; Lewis H. Mervin; Ola Engkvist (AIDD@ICANN, 2024)

Registries in Machine Learning-Based Drug Discovery: A Shortcut to Code Reuse. - Peter B. R. Hartog; Emma Svensson; Lewis H. Mervin; Samuel Genheden; Ola Engkvist; Igor V. Tetko (AIDD@ICANN, 2024)

Temporal Evaluation of Uncertainty Quantification Under Distribution Shift. - Emma Svensson; Hannah Rosa Friesacher; Adam Arany; Lewis H. Mervin; Ola Engkvist (AIDD@ICANN, 2024)

Enhancing Uncertainty Quantification in Drug Discovery with Censored Regression Labels. - Emma Svensson; Hannah Rosa Friesacher; Susanne Winiwarter; Lewis H. Mervin; Adam Arany; Ola Engkvist (CoRR, 2024)

HyperPCM: Robust Task-Conditioned Modeling of Drug-Target Interactions. - Emma Svensson; Pieter-Jan Hoedt; Sepp Hochreiter; Günter Klambauer (J. Chem. Inf. Model., 2024)

Temporal Distribution Shift in Real-World Pharmaceutical Data: Implications for Uncertainty Quantification in QSAR Models. - Hannah Rosa Friesacher; Emma Svensson; Susanne Winiwarter; Lewis H. Mervin; Adam Arany; Ola Engkvist (CoRR, 2025)