Data base management systems selection

Soft Independent Method of Class Analogy (SIMCA), a pattern recognition technique based on principal components (25) was selected to evaluate and apply to the problems of establishing similarities among sample residue profiles. The development of a laboratory data management system to assist in the calculation and organization of results greatly enhanced the feasibility of this approach (26). 

METEOR S biotransformation rules are generic reaction descriptors, and the versatile structural representation used in the system allows each atom or bond to have specific physicochemical properties. This approach provides more details than simple hard-coded functional group descriptors (313), but this flexibility also can give rise to an avalanche of data. METEOR manages the amount of data by predicting which metabolites are to be formed rather than all the possible outcomes (310,312,314,315). At high certainty levels, when chosen, only the more likely biotransformations are requested. At lower likelihood levels, the more common metabolites are also selected for examination. Currently, METEOR knowledge-based biotransformations are exclusively for mammalian biotransformations (phase I and phase II) (314,315). 

Select a list of approved carriers based on the performance data and on the quality of the carrier management system that is delivering that performance. 

Data management in terms of archiving and retrieving of records is an essential feature in the modern laboratory there are many issues with paper systems, which are alleviated if not removed altogether through the use of computerized data. The facility to search and select data is far more rapid and reliable than a paper-based system. With the increase in regulatory scrutiny of electronic records, it may ultimately become a requirement that data be available in electronic form to support submissions. Other advantages of a... 

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