Ya Chen

12PUBLICATIONS
31CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsProcess control and simulationBiomolecular modelling and designBiologically active molecules
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Publications (12)

|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

|Oct 14, 2025
Metabolite Identification Data in Drug Discovery, Part 1: Data Generation and Trend Analysis.

Marie Ahlqvist, Isabella Bonner Karlsson, Anja Ekdahl

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

Roxane Axel Jacob, Oliver Wieder, Ya Chen

|Jul 28, 2025
Identification of New Lupane-Type Triterpenoids as Inverse Agonists of RAR-Related Orphan Receptor Gamma (RORγ).

Patrik F Schwarz, Alexander F Perhal, Famke Guder

|Mar 19, 2025
Integrated Virtual Screening Approach Identifies New CYP19A1 Inhibitors.

Sijie Liu, Jie Wu, Ya Chen

|Jan 03, 2024
Active Learning Approach for Guiding Site-of-Metabolism Measurement and Annotation.

Ya Chen, Thomas Seidel, Roxane Axel Jacob

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Frequent Collaborators

10 joint publications

Johannes Kirchmair

3 joint publications

Angelica Mazzolari

3 joint publications

Filip Miljković

2 joint publications

Susanne Winiwarter