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By Nagnibida N. I.

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Med. Chem. 23: 20. Mueller, S. (2003). Upgrading and Repairing PCs. 15th ed. Indianapolis: Que. , Turner, E. (2001). Laboratory Information Management Systems. 2nd ed. New York: Marcel Dekker, Inc. Van Swaay, M. (1997). The laboratory use of computers. In: Ewing, G. , ed. Analytical Instrumentation Handbook. 2nd ed. New York: Marcel Dekker, Inc. , Sjostrom, M. (1977). SIMCA—a method for analyzing chemical data in terms of similarity and analogy. In: Kowalski, B. , ed. Chemometrics: Theory and Practice.

However, storing the data files in a database solves only part of the archiving problem. Despite the existence of a few industry standard file formats, most vendors use a proprietary file format as already discussed. If the data files are saved in their native file format, they are only useful for as long as the originating application is available or if a suitable viewer is developed. Rendering the data files in a neutral file format such as XML mitigates the obsolescence problem but once again requires that the file format be known.

Apparently there is a need for algorithms that have enough flexibility in dealing with this type of situations. 4. SIMCA SIMCA stands for soft independent modeling of class analogy. It was developed by Wold and coworkers for dealing with asymmetric separation problems. It is based on PCA. In SIMCA, PCA is performed separately on each class in the dataset. Then each class is approximated by its own principle components: " i þ TiA PiA þ Ei Xi ¼ X (19) " i is the where Xi (N Â P) is the data matrix of class i, X mean matrix of Xi with each row being the mean of Xi .

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