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ECO24-UFZ: Computer based prediction of the formation of Non-Extractable Residues (NER) of xenobiotics and their metabolites in soils and sediments with regard to their environmental hazard

Principal Investigator

Prof. Dr. Gerrit Schüürmann
Permoserstraße 15
04318 Leipzig
Germany
email: gerrit.schuurmann@ufz.de

 

Collaborators

Prof. Dr. Andreas Schäffer, Institute for Environmental Research, RWTH Aachen University, andreas.schaeffer@bio5.rwth-aachen.de
Prof. Dr. Matthias Kästner,  Head Department of Environmental Biotechnology,Helmholtz-Centre for Environmental Research, Department of Environmental Biotechnology, matthias.kaestner@ufz.de
Dr. Ralph Kühne Senior scientist, Helmholtz-Centre for Environmental Research, Department of Ecological Chemistry, ralph.kuehne@ufz.de

Description

The project will develop appropriate rules to identify structural alerts. The formation of biogenic NER4 will also be considered within this project. If suitable data are identified from the literature, then the key parameters affecting NER formation will be used to develop polyparameter linear free energy relationships (ppLFERs)5-6 or artificial neural networks (ANNs)7-8 to design a prediction tool for identification of key structural alerts in NER formation.

Timeline: April 2014 > April 2016

LRI funding: € 150,000

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