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METHOD FOR CALCULATING KINETIC PARAMETERS OF A REACTION NETWORK
METHOD FOR CALCULATING KINETIC PARAMETERS OF A REACTION NETWORK
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机译:计算反应网络动力学参数的方法
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摘要
According to the present invention there is provided a method of calculating kinetic parameters of a reaction network, the method comprising the steps of: providing an intermediate objective function, wherein said intermediate objective function comprises a linearized intermediate discrepancy function which comprises intermediate parameters which have been determined by applying a reparameterization function to the parameters of the discrepancy function, wherein the intermediate discrepancy function is linear with respect to all of said intermediate parameters; determining values for each of the intermediate parameters in said linearized intermediate discrepancy function, which minimize the intermediate objective function, using a direct estimation method; determining values for the parameters of the discrepancy function by applying an inverse of the reparameterization function to said determined values of the intermediate parameters; determining values for the kinetic parameters from said determined values for said parameters of the discrepancy function. There is further provided a tangible data carrier comprising program code arranged for causing a processor to carry out said method.
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