Issue 4, 2012

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

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

Article information

Article type
Critical Review
Submitted
11 Oct 2011
Accepted
18 Jan 2012
First published
22 Feb 2012

Green Chem., 2012,14, 875-887

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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