MODELLING OF BIOCHEMICAL PATHWAYS

摘要

A method of investigating a biochemical pathway, especially after treating with a potential drug in order to predict its effects, comprises steps of : storing, e.g. in computer memory a set of mathematical expressions to calculate values representing metabolite concentrations in a reference biochemical pathway from an initial value representing measured concentration of one metabolite in that pathway ; assaying concentration of metabolites(s) in a second biochemical pathway containing the same metabolites as the reference pathway, and storing values representing the measured concentrations ; using said mathematical expressions to calculate a predicted value of concentration of at least one metabolite in the second pathway from an initial value representing measured concentration of one metabolite in the second pathway ; comparing predicted values with corresponding values representing measured metabolite concentrations ; and deriving a measure of the match between pathways on the basis of that comparison relationship. The invention includes apparatus for carrying out the method and a computer memory product carrying at least one program for the method.