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Noorizadeh, H., Farmany, A.. (1390). Quantitative structure—retention relationship analysis of nanoparticle compounds. , 8(2), 29-40.
H. Noorizadeh; A. Farmany. "Quantitative structure—retention relationship analysis of nanoparticle compounds". , 8, 2, 1390, 29-40.
Noorizadeh, H., Farmany, A.. (1390). 'Quantitative structure—retention relationship analysis of nanoparticle compounds', , 8(2), pp. 29-40.
Noorizadeh, H., Farmany, A.. Quantitative structure—retention relationship analysis of nanoparticle compounds. , 1390; 8(2): 29-40.

Quantitative structure—retention relationship analysis of nanoparticle compounds

Journal of Physical & Theoretical Chemistry
مقاله 4، دوره 8، شماره 2، آبان 2011، صفحه 29-40  XML اصل مقاله (283.73 K)
نوع مقاله: Research Paper
نویسندگان
H. Noorizadeh* ؛ A. Farmany*
-
چکیده
Genetic algorithm and partial least square (GA-PLS), the kernel PLS (KPLS) and Levenberg-
Marquardt artificial neural network (L-M ANN) techniques were used to investigate the correlation
between retention time (RT) and descriptors for 15 nanoparticle compounds which obtained by the
comprehensive two dimensional gas chromatography system (GC x GC). Application of the
dodecanethiol monolayer-protected gold nanoparticle (MPN) column was for a high-speed separation
as the second column of GC x GC. The L-M ANN model with the final optimum network
architecture of [9-4-1] gave a significantly better performance than the other models. This is the first
research on the quantitative structure—retention relationship (QSRR) of the nanoparticle compounds
using the GA-PLS, GA-KPLS and L-M ANN.
کلیدواژه‌ها
Nanoparticle compounds؛ Retention Time؛ Dodecanethiol؛ Genetic algorithm
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