dc.date.accessioned2021-08-23T22:56:02Z
dc.date.accessioned2022-10-19T00:25:57Z
dc.date.available2021-08-23T22:56:02Z
dc.date.available2022-10-19T00:25:57Z
dc.date.created2021-08-23T22:56:02Z
dc.date.issued2018
dc.identifierhttp://hdl.handle.net/10533/251769
dc.identifier1151295
dc.identifierWOS:000447645200013
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/4483032
dc.description.abstractThis work presents a novel, differentiable, way of solving dynamic Flux Balance Analysis (dFBA) problems by embedding flux balance analysis of metabolic network models within lumped bulk kinetics for biochemical processes. The proposed methodology utilizes transformation of the bounds of the embedded linear programming problem of flux balance analysis via a logarithmic barrier (interior point) approach. By exploiting the first-order optimality conditions of the interior-point problem, and with further transformations, the approach results in a system of implicit ordinary differential equations. Results from four case studies, show that the CPU and wall-times obtained using the proposed method are competitive with existing state-of-the art approaches for solving dFBA simulations, for problem sizes up to genome-scale. The differentiability of the proposed approach allows, using existing commercial packages, its application to the optimal control of dFBA problems at a genome-scale size, thus outperforming existing formulations as shown by two dynamic optimization case studies. (C) 2018 Elsevier Ltd. All rights reserved.
dc.languageeng
dc.relationhttps://doi.org/10.1016/j.compchemeng.2018.08.041
dc.relationhandle/10533/111557
dc.relation10.1016/j.compchemeng.2018.08.041
dc.relationhandle/10533/111541
dc.relationhandle/10533/108045
dc.rightsinfo:eu-repo/semantics/article
dc.rightsinfo:eu-repo/semantics/openAccess
dc.rightsAtribución-NoComercial-SinDerivadas 3.0 Chile
dc.rightshttp://creativecommons.org/licenses/by-nc-nd/3.0/cl/
dc.titleSimulation and optimization of dynamic flux balance analysis models using an interior point method reformulation
dc.typeArticulo


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