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Topological Indices in Correlation Analysis. Part 2. Molecular Shape Indices in Modelling of the Chromatographic Retention Parameters

 

作者: Jerzy L. Mokrosz,   Beata Duszyńska,  

 

期刊: Quantitative Structure‐Activity Relationships  （WILEY Available online 1990）
卷期: Volume 9, issue 1  

页码: 33-36

 

ISSN:0931-8771

 

年代: 1990

 

DOI:10.1002/qsar.19900090107

 

出版商: WILEY‐VCH Verlag

 

关键词: Alcohols;carbonyl compounds;hydrocarbons;kappa shape indices;structure‐retention correlation

 

数据来源: WILEY

 

摘要:

AbstractDifferent chromatographic data sets for hydrocarbons, alcohols, aldehydes, ketones, esters and barbiturates picked up from the literature were correlated with the kappa molecular shape indices. All correlations were statistically highly significant. Application of the kappa indices in such modelling is discussed.

 

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