Journal of Chemical Information and Computer Sciences · 1994 · 168 citations · 0 references
Life SciencesBiochemistryBioinformaticsEnzymologyMetabolic EngineeringMetabolismBiotransformation PathwaysMetabolic Pathway AnalysisMetabolic PathwaysBiotransformation ModelingMetabolite PredictionOperators
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.