Three-dimensional holographic vector of atomic interaction field for quantitative structure-retention relationship of purine bases

2006 ◽  
Vol 51 (13) ◽  
pp. 1557-1562 ◽  
Author(s):  
Jianbo Tong ◽  
Peng Zhou ◽  
Shengwan Zhang ◽  
Yuan Zhou ◽  
Hu Mei ◽  
...  
Keyword(s):  
Three Dimensional ◽  
Atomic Interaction ◽  
Quantitative Structure ◽  
Purine Bases ◽  
Interaction Field ◽  
Structure Retention ◽  
Relationship Of ◽  
Quantitative Structure Retention Relationship

Quantitative structure-retention relationship of new N-substituted 2-alkylidene-4-oxothiazolidines

2011 ◽  
Vol 34 (18) ◽  
pp. 2397-2404 ◽  
Author(s):  
Dragana Dabić ◽  
Maja Natić ◽  
Zdravko Džambaski ◽  
Rade Marković ◽  
Dušanka Milojković-Opsenica ◽  
...  
Keyword(s):  
Quantitative Structure ◽  
Structure Retention ◽  
Relationship Of ◽  
Quantitative Structure Retention Relationship

Quantitative structure-retention relationship of curcumin and its analogues

2012 ◽  
Vol 35 (4) ◽  
pp. 505-512 ◽  
Author(s):  
Xue-Hua Zheng ◽  
Yong-Xian Shao ◽  
Zhe Li ◽  
Ming Liu ◽  
Xianzhang Bu ◽  
...  
Keyword(s):  
Quantitative Structure ◽  
Structure Retention ◽  
Relationship Of ◽  
Quantitative Structure Retention Relationship

scholarly journals The quantitative structure-retention relationship of the GC-MS profile of yarrow essential oil

2021 ◽  
pp. 123-132
Author(s):  
Milica Acimovic ◽  
Lato Pezo ◽  
Jovana Stankovic-Jeremic ◽  
Marina Todosijevic ◽  
Milica Rat ◽  
...  
Keyword(s):  
Genetic Algorithm ◽  
Essential Oil ◽  
Molecular Descriptors ◽  
Retention Indices ◽  
Achillea Millefolium ◽  
Caryophyllene Oxide ◽  
Quantitative Structure ◽  
Structure Retention ◽  
Relationship Of ◽  
Quantitative Structure Retention Relationship

In the essential oil of yarrow (Achillea millefolium L. sensu lato) collected from natural population on Mt. Rtanj (Serbia) and distilled by Clevenger apparatus 104 compounds were detected, and the most abundant were camphor (9.8%), caryophyllene oxide (6.5%), terpinen-4-ol (6.3%) and 1,8- cineole (5.6%). The quantitative structure-retention relationship (QSRR) model was employed to predict the retention indices, using four molecular descriptors selected by factor analysis and a genetic algorithm. The coefficients of determination reached the value of 0.862, demonstrating that this model could be used for prediction purposes.

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