Computer-assisted structure elucidation (CASE)

D01

Scientific Data Management and Integrative Data Analysis

Computer-assisted structure elucidation (CASE)

Image: C. Steinbeck

Project D01 provides the information management and sharing platform for the whole CRC AquaDiva. It will support the project-wide synthesis activities by providing integrated data products, e.g., it will work toward improving the data analysis for the chemical diversity and metabolic activities in the Critical Zone by constructing multi-omics data structures and perform computer-assisted structure elucidation of compounds in groundwater, which will be integrated into the Jena Database for Natural Products.

Project Leaders

Prof. Dr. Birgitta König-Ries

Heinz-Nixdorf Endowed Chair for Distributed Information Systems
Friedrich Schiller University Jena
Jentower, Leutragraben 1
07743 Jena
Phone: +49 (0)3641 946430
e-mail

Prof. Dr. Christoph Steinbeck

Professorship Cheminformatics and Computational MetabolomicsExternal link
Institute for Inorganic and Analytical Chemistry
Friedrich Schiller University Jena
Lessingstr. 8
07743 Jena
Phone: +49 (0)3641 948171
e-mail

Staff

Dr. Ing. Alsayed Algergawy

Researcher

Heinz-Nixdorf Endowed Chair for Distributed Information SystemsExternal link
Friedrich Schiller University Jena
Jentower, Leutragraben 1, 07743 Jena
Phone: +49 (0)3641 946438
e-mail

Currently:
Guest Professor for Data and Knowledge EngineeringExternal link
University of Passau
Dr.-Hans-Kapfinger-Strasse 30, 94032 Passau
e-mail

Dr. Vinay Singh

Postdoctoral Researcher

Professorship Cheminformatics and ChemometricsExternal link
Institute for Analytical Chemistry
Friedrich Schiller University Jena
Lessingstr. 8
07743 Jena
Phone: +49 (0)3641 948xxx
e-mail