Optimal designs for non-competitive enzyme inhibition kinetic models

Schorning, K. and Dette, H. and Kettelhake, K. and Möller, T.

Volume: 52 Pages: 1359-1378
DOI: 10.1080/02331888.2018.1511716
Published: 2018

In this paper, we present a new method for determining optimal designs for enzyme inhibition kinetic models, which are used to model the influence of the concentration of a substrate and an inhibition on the velocity of a reaction. The approach uses a nonlinear transformation of the vector of predictors such that the model in the new coordinates is given by an incomplete response surface model. Although there exist no explicit solutions of the optimal design problem for incomplete response surface models so far, the corresponding design problem in the new coordinates is substantially more transparent, such that explicit or numerical solutions can be determined more easily. The designs for the original problem can finally be found by an inverse transformation of the optimal designs determined for the response surface model. We illustrate the method determining explicit solutions for the D-optimal design and for the optimal design problem for estimating the individual coefficients in a non-competitive enzyme inhibition kinetic model. © 2018, © 2018 Informa UK Limited, trading as Taylor & Francis Group.

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