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Descriptors and Techniques for Quantitative Structure –Biodegradability Studies

 

作者: J.C. Dearden,  

 

期刊: SAR and QSAR in Environmental Research  (Taylor Available online 1996)
卷期: Volume 5, issue 1  

页码: 17-26

 

ISSN:1062-936X

 

年代: 1996

 

DOI:10.1080/10629369608031703

 

出版商: Taylor & Francis Group

 

关键词: Biodegradability;QSBR;regression analysis;discriminant analysis;group contributions;neural networks;CoMFA

 

数据来源: Taylor

 

摘要:

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.

 

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