首页   按字顺浏览 期刊浏览 卷期浏览 Calculation of Octanol/Water Partition Coefficients for Pesticides: A Comparative Study
Calculation of Octanol/Water Partition Coefficients for Pesticides: A Comparative Study

 

作者: J. Devillers,  

 

期刊: SAR and QSAR in Environmental Research  （Taylor Available online 1999）
卷期: Volume 10, issue 2-3  

页码: 249-262

 

ISSN:1062-936X

 

年代: 1999

 

DOI:10.1080/10629369908039179

 

出版商: Taylor & Francis Group

 

关键词: 1-octanol/water partition coefficient;pesticides;three-layer feedforward neural network;back-propagation algorithm;atom/fragment descriptors;autocorrelation descriptors

 

数据来源: Taylor

 

摘要:

On the basis of a set of 593 experimental octanol/water partition coefficients (logP) for pesticides, the simulation performances of two models using computable descriptors are compared. The back propagation neural network model designed from autocorrelation descriptors (SAR QSAR Environ. Res.(1997),7, 151–172) compares favorably with the AFC model (J. Pharm. Sci.(1995),84, 83–92) using atom/fragment contributions and correction factors.

 

点击下载:  PDF (460KB)



返 回