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.
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, presented at the 16th Cefic-LRI Annual Workshop 2014
In silico Preduction of the Formation of Non-Extractable Residues (NER) in Soil and relation to their Environmental Hazard, presented at the 2016 SETAC Annual Meeting, France, May 2016.
In silico Preduction of the Formation of Non-Extractable Residues (NER) in Soil and relation to their Environmental Hazard, presented at the 2016 ICCA LRI Workshop, Japan, June 2016.