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Issue 4, 2012
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Modeling and predicting aquatic aerobic biodegradation – a review from a user's perspective

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Abstract

In the context of sustainable and green chemistry, the ‘benign by design’ concept requires information on a compound's biodegradability to be available at an early stage, even before synthesis. Computer models for predicting biodegradation therefore are increasingly important. In this work various approaches to predict aquatic aerobic biodegradation are critically reviewed from a user's point of view. Some fundamental problems in modeling biodegradation are discussed, as well as more general issues in modeling of compound properties by quantitative structure–property/activity relationships (QSPR/QSAR).

Graphical abstract: Modeling and predicting aquatic aerobic biodegradation – a review from a user's perspective

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Publication details

The article was received on 11 Oct 2011, accepted on 18 Jan 2012, published on 22 Feb 2012 and first published online on 22 Feb 2012


Article type: Critical Review
DOI: 10.1039/C2GC16267A
Citation: Green Chem., 2012,14, 875-887
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    Modeling and predicting aquatic aerobic biodegradation – a review from a user's perspective

    C. Rücker and K. Kümmerer, Green Chem., 2012, 14, 875
    DOI: 10.1039/C2GC16267A

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