Computer-implemented method for creating a fermentation model

A computer-implemented method for model-based estimation of the state of a bioreaction with an organism in a bioreactor comprising:

• creating a model of a bioreaction with an organism, said model including a matrix L, kinetics of macroreactions and model parameters of calculated values, which comprises the following steps:
• a. defining selected metabolic pathways of the organism, their properties of stoichiometry and reversibility as background knowledge and calculating elementary modes from this input;
• b. combining the elementary modes from a) in a matrix K, wherein the elementary modes combine the metabolic pathways from a) in macroreactions and the matrix K contains the stoichiometry and reversibility properties of all macroreactions;
• c. entering measured data for the bioreaction with the organism;
• d. calculating, using an interpolation method, specific rates for the organism of the metabolic pathways based on the measured data entered from c);
• e. selecting relevant macroreactions as a subset r(t) of the elementary modes from a) by
• i. data-independent and/or data-dependent prereduction of the elementary modes from a);
• ii. selection of the subset from the prereduction from e) i. using the measured data from c) and/or one or more rates from d) by means of an algorithm according to a mathematical quality criterion and combination of the subset in a matrix L;
• iii. optionally, the subset is shown graphically,
• f. calculating, using an interpolation method, reaction rates of the macroreactions of the subset r(t) on the basis of the measured data from c) and/or the rates from d);
• g. devising kinetics of the macroreactions of the subset from e) ii. using the following intermediate steps:
• i. devising generic kinetics from the stoichiometry of the macroreactions from e);
• ii. determining factors influencing the macroreactions from e) from the reaction rates from f);
• iii. expanding the generic kinetics from g) i. by model parameter values which quantify the factors determined in g) ii;
• h. performing separately for each macroreaction, a first adjustment of the model parameter values of the model parameters of g) iii to the calculated reaction rates from f);
• i. optionally repeating steps g) and h) until a predefined quality of adjustment is reached;
• j. adjusting the model parameter values of the model parameters of g) iii, h) or i) to the measured data from c);
• k. forming the matrix L from e) ii, the kinetics from g) iii and the model parameter values of the model parameters from j) as an output for transferring to a process control module or process development module;
• and
• closed-loop controlling the bioreaction using the output of step k),
• outputting the estimated state of the bioreaction.