Recent developments in broadly applicable structure-biodegradability relationships.
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.
Jaworska
Joanna S
JS
Procter & Gamble, Eurocor, Corporate Environmental Safety Science & Research, 100 Temselaan, B-1853 Strombeek-Bever, Belgium. jaworska.j@pg.com
Boethling
Robert S
RS
Howard
Philip H
PH
D001185:Artificial Intelligence; D001673:Biodegradation, Environmental; D003132:Commerce; D004785:Environmental Pollutants / Q000378:metabolism*; D005544:Forecasting; D007564:Japan; D008962:Models, Theoretical; D021281:Quantitative Structure-Activity Relationship; D018570:Risk Assessment
D004785:Environmental Pollutants