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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ANN Prediction of Equilibrium Constants in Aqueous Solutions
Book of Abstracts of International Chemometric Conference CHEMOMETRICS VI, year: 2002
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ANN Prediction of Migration Behaviour of Metal Complexes in Capillary Zone Electrophoresis
Book of Abstracts of International Chemometric Conference Chemometrics VI, year: 2002
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Artificial neural networks for modeling electrophoretic mobilities of inorganic cations and organic cationic oximes used as antidote contra nerve paralytic chemical weapons
ELECTROPHORESIS, year: 2002, volume: 23, edition: 12
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CAPILLARY ELECTROPHORESIS CHIRAL SEPARATION MODELLING WITH THE USE OF ARTIFICIAL NEURAL NETWORKS
CHIRANAL 2002, year: 2002
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Capillary electrophoretic study of interactions of metal ions with crown ethers, a sulfated beta-cyclodextrin, and zwitterionic buffers present as additives in the background electrolyte
ELECTROPHORESIS, year: 2002, volume: 23, edition: 12
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Enhancement of precision in the analysis of medicines by capillary electrophoresis using artificial neural networks
ACTA CHIMICA SINICA, year: 2002, volume: 60, edition: 7
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Evaluation of calibration data in capillary electrophoresis using artificial neural networks to increase precision of analysis
JOURNAL OF CHROMATOGRAPHY A, year: 2002, volume: 979, edition: 1-2
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Evaluation of chemical equilibria with the use of artificial neural networks
POLYHEDRON, year: 2002, volume: 21, edition: 14-15
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Formation and Dissociation Study of Macrocylic Ligand DO3A with Transition Metal Ions
Book of Abstracts of International Conference on Coordination Chemistry ICCC'35, year: 2002
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NEOBVYKLE VÝJIMEČNÁ TERMODYNAMICKÁ STABILITA A KINETICKÁ STÁLOST MĚĎNATÝCH KOMPLEXŮ 1,8-BIS(METHYLFOSFONOVÝCH DERIVÁTŮ CYKLAMU
CHEMICKÉ LISTY, year: 2002, volume: 96, edition: 6