首页   按字顺浏览 期刊浏览 卷期浏览 Quantitative Structure-Toxicity Relationships for Halobenzenes in Two Species of Biolum...
Quantitative Structure-Toxicity Relationships for Halobenzenes in Two Species of Bioluminescent Bacteria,Pseudomonas fluorescensandVibrio fischeri, Using an Atom-Centered Semi-Empirical Molecular-Orbital Based Model

 

作者: M.A. Warne,   E.M. Boyd,   A.A. Meharg,   D. Osborn,   K. Killham,   J.C. Lindon,   J.K. Nicholson,  

 

期刊: SAR and QSAR in Environmental Research  （Taylor Available online 1999）
卷期: Volume 10, issue 1  

页码: 17-38

 

ISSN:1062-936X

 

年代: 1999

 

DOI:10.1080/10629369908039163

 

出版商: Taylor & Francis Group

 

关键词: Bioluminescent bacteria;toxicity;halobenzenes;semi-empirical calculations;atom based properties;molecular properties

 

数据来源: Taylor

 

摘要:

Literature data on the toxicity of substituted benzenes for two bioluminescent bacteria,Pseudomonas fluorescensandVibrio fischerihave been compared and analysed in relation to a set of computed molecular physico–chemical properties using a quantitative structure-activity approach. The quantitative structure-toxicity relationships of the compounds in each species showed marked differences when based upon semi-empirical molecular-orbital whole molecule and atom based properties.

 

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