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Open Access Green as soon as Postprint is submitted to ZB.
A unified approach to exposure assessment by computer models for degradation reactions and soil accumulation : the triazine herbicide example.
Chemosphere 38, 1811-1823 (1999)
A comprehensive approach to exposure assessment of chemicals must include metabolites of the initial compounds. We present here an approach that combines a knowledge-based system for the prediction of degradation pathways with an analytical soil transport model. The performance of this combination of systems is illustrated with an analysis of seven s-triazine herbicides and their 35 degradation products. In a ranking procedure using the Hasse diagram technique, the relationships between chemical structure and the hazard potential in a loam soil scenario is analyzed. Sequences of chemical structures with comparable and non-comparable hazard potentials are identified.
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Publication type
Article: Journal article
Document type
Scientific Article
Keywords
s-triazines; metabolites; reaction prediction; exposure assessment; ranking; structure-fate relationships
ISSN (print) / ISBN
0045-6535
e-ISSN
1879-1298
Journal
Chemosphere
Quellenangaben
Volume: 38,
Issue: 8,
Pages: 1811-1823
Publisher
Elsevier
Publishing Place
Kidlington, Oxford
Non-patent literature
Publications
Reviewing status
Peer reviewed
Institute(s)
Institute of Biomathematics and Biometry (IBB)