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

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)

Achieving well-informed decision-making in drug discovery: a comprehensive calibration study using neural network-based structure-activity models. - Hannah Rosa Friesacher; Ola Engkvist; Lewis H. Mervin; Yves Moreau; Adam Arany (J. Cheminformatics, 2025)