Emma Schymanski

发表

Mathematical Chemistry and Chemoinformatics - Structure Generation, Elucidation and Quantitative Structure-Property Relationships

Adalbert Kerber, Reinhard Laue, Markus Meringer, 2013 .

Computational Metabolomics: From Cheminformatics to Machine Learning (Dagstuhl Seminar 20051)

Emma Schymanski, Sebastian Böcker, Nicola Zamboni, 2020, Dagstuhl Reports.

Computational Metabolomics (Dagstuhl Seminar 15492)

Juho Rousu, Emma Schymanski, Sebastian Böcker, 2015, Dagstuhl Reports.

Computational Metabolomics: Identification, Interpretation, Imaging (Dagstuhl Seminar 17491)

Pieter C. Dorrestein, Emma Schymanski, Sebastian Böcker, 2017, Dagstuhl Reports.

“MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies

Antony J. Williams, Emma L. Schymanski, Emma Schymanski, 2018, Journal of Cheminformatics.

Critical Assessment of Small Molecule Identification 2016: automated methods

Juho Rousu, Martin Krauss, Emma L. Schymanski, 2017, Journal of Cheminformatics.

Defining a Manageable, Dynamic Chemical Space for Exposomics

Emma Schymanski, 2021 .

Application of preparative capillary gas chromatography (pcGC), automated structure generation and mutagenicity prediction to improve effect-directed analysis of genotoxicants in a contaminated groundwater

Emma L. Schymanski, Werner Brack, Ralph Kühne, 2010, Environmental science and pollution research international.

Identification of a phytotoxic photo-transformation product of diclofenac using effect-directed analysis.

Rolf Altenburger, Sara Weiss, Werner Brack, 2010, Environmental pollution.

How to confirm identified toxicants in effect-directed analysis

Werner Brack, Tobias Schulze, Emma Schymanski, 2008, Analytical and bioanalytical chemistry.

Let us empower the WFD to prevent risks of chemical pollution in European rivers and lakes

Helmut Segner, Rolf Altenburger, Jaroslav Slobodnik, 2019, Environmental Sciences Europe.