0568675 20240402213621.320230216235959.9 4 s. E cav_un_epca*0568674978-80-86407-85-256-59OstravaInstitute of Geonics of the Czech Academy of Sciences2023StarýJiříSysalaStanislavSysalováDagmar Mathematical modeling Biochemical network Pharmacokinetic (PBPK) models cav_un_auth*0404313 Papáček Štěpán UTIA-B Teorie řízení Department of Control Theory TŘ TR CZ Ústav teorie informace a automatizace AV ČR, v. v. i. cav_un_auth*0100790 Matonoha Ctirad UIVT-O Oddělení výpočetní matematiky Department of Computational Mathematics Department of Computational Mathematics Ústav informatiky AV ČR, v. v. i. cav_un_auth*0208862 Duintjer Tebbens Jurjen UIVT-O Oddělení výpočetní matematiky Department of Computational Mathematics Department of Computational Mathematics NL Ústav informatiky AV ČR, v. v. i. poster http://library.utia.cas.cz/separaty/2023/TR/papacek-0568675.pdf GA21-03689S GA ČR CZ cav_un_auth*0410139 This study presents an application of one special technique, further called as Bohl-Marek decomposition, related to the mathematical modeling of biochemical networks with mass conservation properties. We continue in direction of papers devoted to inverse problems of parameter estimation for mathematical models describing the drug-induced enzyme production networks [3]. However, being aware of the complexity of general physiologically based pharmacokinetic (PBPK) models, here we focus on the case of enzyme-catalyzed reactions with a substrate transport chain [5]. Although our ultimate goal is to develop a reliable method for fitting the model parameters to given experimental data, here we study certain numerical issues within the framework of optimal experimental design [6]. Before starting an experiment on a real biochemical network, we formulate an optimization problem aiming to maximize the information content of the corresponding experiment. For the above-sketched optimization problem, the computational costs related to the two formulations of the same biochemical network, being (i) the classical formulation x˙(t) = Ax(t) + b(t) and (ii) the 'quasi-linear' Bohl-Marek formulation x˙M(t) = M(x(t)) xM(t), can be determined and compared. cav_un_auth*0445278 SEMINAR ON NUMERICAL ANALYSIS - SNA'23 In memoriam of professor Radim Blaheta 20230123 20230127 Ostrava CZ BC 10000 10100 10102 2024 3 UIVT-O 10000 10100 10101 PO RVO:67985556 RVO:67985807 https://hdl.handle.net/11104/0339944 cav_un_auth*0445280 Faculty of Pharmacy, Charles University, Hradec Králové CZ S 2023 SCOPUS PUBMED WOS poster cav_un_epca*0568674 Proceedings of the Seminar on Numerical Analysis & Winter School /SNA' 23/ Institute of Geonics of the Czech Academy of Sciences 2023 Ostrava 56 59 978-80-86407-85-2 Starý Jiří 340 Sysala Stanislav 340 Sysalová Dagmar 340