Development of multi ANN model for QSRR in ion chromatography (CROSBI ID 625796)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa
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
nije evidentirano
nije evidentirano
nije evidentirano
nije evidentirano
nije evidentirano
nije evidentirano
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