Kirchmair, Johannes

How do metabolites differ from their parent molecules and how are they excreted?

Kirchmair, J., Howlett, A., Peironcely, J. E., Murrell, D. S., Williamson, M. J., Adams, S. E., Hankemeier, T., van Buren, L., Duchateau, G., Klaffke, W., et al. (2013) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsPharmacogenetics and Drug Metabolism

Cited by 43

E-GuARD: Expert-Guided Augmentation for Robust Interference Compound Detection

Palmacci, V., Nahal, Y., Welsch, M., Engkvist, O., Kaski, S., & Kirchmair, J. (2025) · Journal of Cheminformatics

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 6

Quantifying the Hardness of Bioactivity Prediction Tasks for Transfer Learning

Fooladi, H., Hirte, S., & Kirchmair, J. (2024) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsMachine Learning in Bioinformatics

Cited by 6

E-GuARD: expert-guided augmentation for the robust detection of compounds interfering with biological assays

Palmacci, V., Nahal, Y., Welsch, M., Engkvist, O., Kaski, S., & Kirchmair, J. (2025) · Journal of Cheminformatics

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 6

Quantifying the hardness of bioactivity prediction tasks for transfer learning

Fooladi, H., Hirte, S., & Kirchmair, J. (2024) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsMachine Learning in Bioinformatics

Cited by 6