Fast choice of separation conditions for analyses by capillary zone electrophoresis usingan information system Xemic
| Authors | |
|---|---|
| Year of publication | 2002 |
| Type | Article in Periodical |
| Magazine / Source | Electrophoresis |
| MU Faculty or unit | |
| Citation | |
| Field | Computer hardware and software |
| Keywords | capillary zone electrophoresis; information system; machine learning; separation conditions |
| Description | An information system Xemic applicable in analytical chemistry is described and its use in capillary electrophoresis for searching suitable separation conditions is demonstrated. The system works with a database of components of anionic character the analysis of which has been performed, published, and included into a database created by an expert. Moreover, the system was learned by an expert to search also in abstracts or complete scientific articles to find articles dealing with the determination of a substance in a given sample matrix. When no experiments have been published so far for a given substance in a given matrix, Xemic shows the separation conditions for determination of the substance regardless of the matrix. When no response can be found for the analyte of interest at all, the system Xemic offers a series of substances the physico- chemical properties of which are close to the followed analyte. With a certain probability the analyte of interest can be successfully analyzed using separation conditions that were used for the analysis of the most similar substances in the given matrix. |
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