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
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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
2002
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Optimization of purines and pyrimidines CZE determination in urine
Book of Abstracts of International Chemometric Conference Chemometrics VI., year: 2002
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SOFT MODELLING OF ELECTROPHORETIC MOBILITIES AND PREDICTION OF ANIONS RESOLUTION USING ARTIFICIAL NEURAL NETWORKS
CHEMOMETRICS VI, year: 2002
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STUDIUM FORMAČNÍ A DISOCIAČNÍ KINETIKY MAKROCYKLICKÉHO LIGANDU DO3AP S VYBRANÝMI IONTY KOVŮ
CHEMICKÉ LISTY, year: 2002, volume: 96, edition: 6
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STUDIUM KOORDINAČNÍCH VLASTNOSTÍ KOMPLEXŮ 1,8-BIS(METHYLENFOSFONOVÝCH) DERIVÁTŮ CYKLAMU
CHEMICKÉ LISTY, year: 2002, volume: 96, edition: 6
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Umělé neuronové sítě (ANN) v chemii. Kvantitativní analýza z nerozlišených píků v kapilární elektroforéze s použitím vícerozměrné kalibrace kombinací plánování pokusů a ANN
Program přednášek 17. Chemometrického dne, year: 2002
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UMĚLÉ NEURONOVÉ SÍTĚ V ANALYTICKÉ CHEMII
Chemické listy, year: 2002, volume: 96, edition: 6