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META. 1. A program for the evaluation of metabolic transformation of chemicals
G Klopman1, M Dimayuga, J Talafous
1Chemistry Department, Case Western Reserve University, Cleveland, Ohio 44106-7078.
Journal of Chemical Information and Computer Sciences
|November 1, 1994
Abstract:
A new metabolism program, META, is introduced. In this paper, the basic principles on which the program operates are described. META is an expert system, capable of predicting the sites of potential enzymatic attack and the nature of the chemicals formed by such metabolic transformations. It operates from dictionaries of transformation operators, created by experts to represent known metabolic paths.