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Development of multi ANN model for QSRR in ion chromatography (CROSBI ID 625796)

Prilog sa skupa u zborniku | sažetak izlaganja sa skupa

Ukić, Šime ; Novak Stankov, Mirjana ; Rogošić, Marko ; Bolanča, Tomislav Development of multi ANN model for QSRR in ion chromatography // 21st International Symposium on Separation Sciences, Book of Abstracts / Vovk, Irena ; Glavnik, Vesna ; Albreht, Alen (ur.). Ljubljana: National Institute of Chemistry Ljubljana, 2015. str. 194-194

Podaci o odgovornosti

Ukić, Šime ; Novak Stankov, Mirjana ; Rogošić, Marko ; Bolanča, Tomislav

engleski

Development of multi ANN model for QSRR in ion chromatography

Nowadays, efficient optimization of separation means much more than simple prediction of retention ; at least peak width and asymmetry should be included while peak shape information would certainly be benefit for global multi-criteria optimization process. However QSRR models prove to be not accurate enough to be able to serve as a core of peak shape model. Therefore, it is essential to raise predictive ability of QSRR model. The aim of this work is development of multi ANN model for QSRR in ion chromatography. Developed model links in parallel up to 100 different ANNs completely trained and optimized for purpose of making single prediction only. The approach discusses influence of number of inbuilt ANN on predictive ability in correlation with time needed for computation. Although results showed significant improvement of predictive ability the straightforward application of developed models for QSRR peak shape modeling still remain questionable.

ANN; QSRR; ion chromatography

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Podaci o prilogu

194-194.

2015.

objavljeno

Podaci o matičnoj publikaciji

21st International Symposium on Separation Sciences, Book of Abstracts

Vovk, Irena ; Glavnik, Vesna ; Albreht, Alen

Ljubljana: National Institute of Chemistry Ljubljana

978-961-6104-28-9

Podaci o skupu

21st International Symposium on Separation Sciences

poster

30.06.2015-03.07.2015

Ljubljana, Slovenija

Povezanost rada

Kemija, Kemijsko inženjerstvo