Descriptors and techniques for quantitative structure-biodegradability studies

Biodegradation occurs mainly through microbial enzyme attack, and enzyme-catalysed reactions are known to depend on hydrophobic, electronic and steric effects. However, most QSBR studies involve correlation with a single parameter, but there is no consistency regarding the class of parameter. This suggests that biodegradation occurs through a range of different mechanisms. A few QSBR studies have reported the need to include more than one class of parameter in correlations. As well as linear regression analysis, other correlation methods have been used in QSBR investigations. These include discriminant analysis, neural networks and comparative molecular field analysis (CoMFA).