Structure activity relationships for the prediction of biodegradability of environmental pollutants

Abstract

This paper reviews the development of Structure Activity Relationships (SARs) and Quantitative SARs (QSARs) for the prediction of biodegradability of environmental pollutants. The utility of QSARs for biodegradation has been evaluated in the light of various physicochemical, quantum, and molecular descriptors and biodegradation parameters. It has been suggested that further development of successful QSARs for biodegradation should involve the establishment of large and consistent biodegradation data bases and the identification descriptors that can relate well to the mechanisms and rate limiting processes in the biodegradation sequence. Among the descriptors studied, the quantum chemical‐type descriptors appear to be most promising for the development of QSARs for the prediction of biodegradability of environmental pollutants.

Key words:

• SARs
• QSARs
• biodegradability
• pollutants
• physicochemical properties
• molecular descriptors