The oxygen transport as well as other chemicals is modelled based on the obtained haemodynamic information (Section 2.3).
In Edberg et al. (2012), the relative importance of the proteins (represented as nodes in a network) for a single chemical was modelled by the centrality measures: betweenness, node degree, edge percolation component and bottleneck betweenness.
The single-chemical data were modeled without and with the mixture data to determine, respectively, the expected mixture response (the additivity model) and the experimentally observed mixture response (the empirical model).
The single-chemical and mixture data were modeled successfully using the FSCR model.
The Eulerian Eulerian two-fluid approach was adopted to simulate hydrodynamics of fluidization, and chemical reactions were modelled by laminar finite-rate model.
Metabolites and chemical reactions were modelled in COPASI [ 24] assuming a single compartment.
Quantitative structure activity/structure property relationship (QSAR/QSPR) models are regression or classification models widely used in cheminformatics, where a biological activity or a chemical property of chemical compounds are modeled in terms of their molecular descriptors.
Sensitivity to various chemicals can be modeled by combining the PATO term 'increased sensitivity of a process' with the GO biological process 'vegetative growth of a single-celled organism' and a ChEBI term representing the substance.
If chemical systems are modeled at the molecular level, mass action kinetics are often a good description of the chemical processes [ 6] and are therefore frequently used.
The chemical reaction is modeled by the flame sheet approximation.
