Computer-aided simulation of chemical or biochemical reaction kinetics, involves specifying one or multiple molecular reactions of reaction kinetics by molecule types, reaction types and interaction constant, involved in molecular reaction

摘要

Computer-aided simulation involves specifying one or multiple molecular reactions of a reaction kinetics by molecule types, reaction types and interaction constant involved in the molecular reaction. The reactions are described by a network, which is characterized by molecule species (A,B). The molecule species comprise a molecular type and one or multiple interaction interfaces (pi 1A,pi 1B). The interactive interfaces are available with values, which indicate the interaction condition of the respective molecule species in the respective interaction interfaces. An independent claim is also included for a computer program product with a program code for computer aided simulation of chemical and/or biochemical reaction kinetics.