Surface comparisons of some odour molecules: Conformational calculations on sandalwood odour V. - Gerhard Buchbauer; Susanne Winiwarter; Peter Wolschann (J. Comput. Aided Mol. Des., 1992)

Time dependent analysis of assay comparability: a novel approach to understand intra- and inter-site variability over time. - Susanne Winiwarter; Brian Middleton; Barry Jones; Paul Courtney; Bo Lindmark; Ken M. Page; Alan Clark; Claire Landqvist (J. Comput. Aided Mol. Des., 2015)

Using Conformal Prediction to Prioritize Compound Synthesis in Drug Discovery. - Ernst Ahlberg; Susanne Winiwarter; Henrik Boström; Henrik Linusson; Tuve Löfström; Ulf Norinder; Ulf Johansson; Ola Engkvist; Oscar Hammar; Claus Bendtsen; Lars Carlsson (COPA, 2017)

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)