Partial least squares and artificial neural networks for multicomponent analysis from derivative UV-Vis spectra
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F02%3A00006479" target="_blank" >RIV/00216224:14310/02:00006479 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Partial least squares and artificial neural networks for multicomponent analysis from derivative UV-Vis spectra
Original language description
This contribution presents a comparative study of the use of PLS and ANNs to analyze A and C mixtures using UV-Vis derivative spectra. The optimum ANN architecture enabling to model the system was established by means of TRAJAN 6.0 program. Several algorithms (Back propagation, Conjugate gradients, Quick propagation, and Delta-Bar Delta algorithm) were used for the training of the ANN to obtain a reliable model. With help of a suitable experimental design in combination with soft ANN modelling, the concentration of both A and C in mixtures can be quantified with an excellent accuracy (about 1 %). The quality of the testing set was evaluated on the basis of the average root mean square error for prediction (RMSEP) calculated from true and found values of A and C concentrations (RMSEP = 0.07 for A and 0.09 for C). It was found that ANN gives better results for the first and second derivative spectra than for original spectra. Furthermore, in comparison with PLS the ANN provides a more re
Czech name
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Czech description
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Classification
Type
D - Article in proceedings
CEP classification
CB - Analytical chemistry, separation
OECD FORD branch
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Result continuities
Project
<a href="/en/project/IAA1163201" target="_blank" >IAA1163201: Application of adsorptive transfer and elemination techniques in oligonucleotides and nucleic acids analysis.</a><br>
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2002
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Article name in the collection
International Chemometric Conference - CHEMOMETRICS VI
ISBN
80-210-2918-8
ISSN
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e-ISSN
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Number of pages
1
Pages from-to
"P21"
Publisher name
Masaryk University, Brno, Czech Republic
Place of publication
Czech Republic, Brno
Event location
September, 1. -5.2002, Brno Czech Republic
Event date
Jan 1, 2002
Type of event by nationality
WRD - Celosvětová akce
UT code for WoS article
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