Project information
Artificial neural networks and experimental design in analytical chemistry, especially in separation methods
- Project Identification
- GA203/02/1103
- Project Period
- 1/2002 - 12/2004
- Investor / Pogramme / Project type
-
Czech Science Foundation
- Standard Projects
- MU Faculty or unit
- Faculty of Science
Artificial neural networks (ANN) in analytical chemistry; research and development of the optimization techniques based on ANN and/or genetic algorithms and their combination with experimental design for a general approach towards analytical process and method development. Experimental optimization combined with the prediction of analyte properties also from the structure (molecular descriptors) and physicochemical constants. Creation of general methodology for optimization and development of analytical methods, especially when the use of classical single variable optimization process of the experimental optimization and previous methods fail in complex chemical systems or when these approaches are too laborious and time consuming. The applications in analytical chemistry, especially in separation methods including chiral (capillary electrophoresis, liquid and ion chromatography), MALDI TOF mass spectrometry and separation techniques combined with mass spectrometry for analysis (method development) of
Publications
Total number of publications: 26
2007
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Application of artificial neural networks in speciation analysis
Utilizing of Bio-Electrochemical and Mathematical Methods in Biological Research, year: 2007, number of pages: 15 s.
2006
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Kinetické stanovení kyseliny L-askorbové s využitím oscilujícího chemického systému
CHEMICKÉ LISTY, year: 2006, volume: 100, edition: 4
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Simultaneous determination of molybdenum(VI) and tungsten(VI) and its application in elemental analysis of polyoxometalates
Talanta, year: 2006, volume: 69, edition: 4
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Spektrofotometrické stanovení uranu(VI) v přítomnosti uhličitanů a šťavelanů a jeho využití pro speciační analýzu uranu(VI)
CHEMICKÉ LISTY, year: 2006, volume: 100, edition: 9
2005
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Mass Spectrometry of Humic Substances of different origin including those from Antarctica. A Comparison Study.
Talanta, year: 2005, volume: 67, edition: 5
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Optimization of high performance liquid chromatography separation of neuroprotective peptides. Fractional experimental design combined with Artificial neural networks
Journal of Chromatography A, year: 2005, volume: 1096, edition: 1-2
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Optimization of solid-phase extraction using artificial neural networks in combination with experimental design for determination of resveratrol by capillary zone electrophoresis in wines
J. Chromatogr. A., year: 2005, volume: 1084, edition: 1
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SIMULTÁNNÍ SPECIAČNÍ SPEKTROFOTOMETRICKÁ ANALÝZA IONTŮ Fe2+ A Fe3+
CHEMICKÉ LISTY, year: 2005, volume: 99, edition: 3
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SolEq (SOLUTION EQUILIBRIA) SOFTWAROVÝ BALÍK PRO VÝUKU ZÁKLADŮ CHEMICKÝCH ROVNOVÁH A JEJICH APLIKACÍ
CHEMICKÉ LISTY, year: 2005, volume: 99, edition: 1
2004
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Prediction of equilibrium constants in aqueous solution. I. The extrapolation of equilibrium constants to zero ionic strength using PLS, artificial neural networks, and genetic "soft" modelling
Chemical Papers, year: 2004, volume: 58, edition: 5