Recent developments in broadly applicable structure-biodegradability relationships
- 1 August 2003
- journal article
- review article
- Published by Oxford University Press (OUP) in Environmental Toxicology and Chemistry
- Vol. 22 (8) , 1710-1723
- https://doi.org/10.1897/01-302
Abstract
Biodegradation is one of the most important processes influencing concentration of a chemical substance after its release to the environment. It is the main process for removal of many chemicals from the environment and therefore is an important factor in risk assessments. This article reviews available methods and models for predicting biodegradability of organic chemicals from structure. The first section of the article briefly discusses current needs for biodegradability estimation methods related to new and existing chemicals and in the context of multimedia exposure models. Following sections include biodegradation test methods and endpoints used in modeling, with special attention given to the Japanese Ministry of International Trade and Industry test; a primer on modeling, describing the various approaches that have been used in the structure/biodegradability relationship work, and contrasting statistical and mechanistic approaches; and recent developments in structure/biodegradability relationships, divided into group contribution, chemometric, and artificial intelligence approaches.Keywords
This publication has 33 references indexed in Scilit:
- Handbook of Molecular DescriptorsPublished by Wiley ,2000
- Evaluating the environmental fate of a variety of types of chemicals using the EQC modelEnvironmental Toxicology and Chemistry, 1996
- Evolutionary variable selection in regression and PLS analysesJournal of Chemometrics, 1996
- Prediction of biodegradation kinetics using a nonlinear group contribution methodEnvironmental Toxicology and Chemistry, 1993
- Genetic algorithms as a strategy for feature selectionJournal of Chemometrics, 1992
- Predictive model for aerobic biodegradability developed from a file of evaluated biodegradation dataEnvironmental Toxicology and Chemistry, 1992
- Structural features associated with degradable and persistent chemicalsEnvironmental Toxicology and Chemistry, 1987
- Biodegradation data evaluation for structure/biodegradability relationsEnvironmental Toxicology and Chemistry, 1987
- Biolog, biodeg, and fate/expos: New files on microbial degradation and toxicity as well as environmental fate/exposure of chemicalsEnvironmental Toxicology and Chemistry, 1986
- Interpreting results from biodegradability tests of chemicals in water and soilEnvironmental Toxicology and Chemistry, 1984