Roxane Axel Jacob

4PUBLICATIONS
10CO-AUTHORS
Computational chemistryCheminformatics and quantitative structure-activity relationshipsProcess control and simulationBioinformatic methods development
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Publications (4)

|Oct 29, 2025
Comparative Chemical Space Analysis of Pesticides and Substances with Genotoxicity Data.

Daniel H Foil, Jeannette König, Kristin Herrmann

|Oct 21, 2025
Metabolite Identification Data in Drug Discovery, Part 2: Site-of-Metabolism Annotation, Analysis, and Exploration for Machine Learning.

Ya Chen, Susanne Winiwarter, Roxane Axel Jacob

|Aug 06, 2025
Site-of-Metabolism Prediction with Aleatoric and Epistemic Uncertainty Quantification.

Roxane Axel Jacob, Oliver Wieder, Ya Chen

|Jun 17, 2025
Automated Annotation of Sites of Metabolism from Biotransformation Data.

Roxane Axel Jacob, Angelica Mazzolari, Johannes Kirchmair

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Frequent Collaborators

4 joint publications

Johannes Kirchmair

3 joint publications

Angelica Mazzolari

2 joint publications

Ya Chen

1 joint publications

Oliver Wieder