Quantitative structure-biodegradability relationship for organic compounds: An approach based on logistic regression analysis
by
S.A. Kulkarni
National Environmental Engineering Research Institute, Nehru Marg, Nagpur - 20 India
Coauthors: D.V. Raje, T. Chakrabarti

In the present Quantitative Structure - Biodegradability Relationship (QSBR) analysis, 800 organic compounds have been considered and classified into two broad groups, aliphatics and aromatics. The compounds represent wide range of structural and functional characteristics. The available data on whether the compound is biodegradable or not has been used to set up relationship between the structural properties of compound and its biodegradability. The substituent groups in the structure of compounds are treated as explanatory variables, while biodegradability is considered as dependent variable. The 'logistic regression' analysis has been used to determine the effect of change in the explanatory variables on degradation of compounds. This exercise provides an elemental approach to understand the effect of substitution on the persistence of certain organic compounds released into the environment.

Date received: March 22, 2002