Nephron Toxicity Profiling via Untargeted Metabolome Analysis Employing a High- Performance Liquid Chromatography-Mass Spectrometry-Based Experimental and Computational Pipeline
Christina Ranninger, Marc Rurik, Alice Limonciel, Silke Ruzek, Roland Reischl, Anja Wilmes, Paul Jennings, Philip Hewitt, Wolfgang Dekant, Oliver Kohlbacher, and Christian G. Huber

Capsule:
Background: Drug toxicity testing calls for in vitro assays as alternatives to animal models.
Results: OpenMS and KNIME are applicable for processing of HPLC-MS data sets to reveal metabolic changes upon chloroacetaldehyde treatment of kidney cells.
Conclusion: Most significant changes are related to oxidative stress.
Significance: Comprehensive multiomics studies support the risk assessment at an early stage of drug development.

The open access article can be found  here.

Reviewed by Hans Brandstetter