Models
Datagrok Diff Studio enables modeling complex processes defined by ordinary differential equations. The examples below showcase its full range of capabilities.
Chem reactions
The Chem react example simulates deterministic mass-action kinetics given in the network
This example illustrates annotation of model inputs for UI improvement.
Robertson model
Robertson’s chemical reaction model is a well-known example of stiff equations. It describes the process
Numerical solution of stiff problems is a complicated task. Diff Studio provides solution of both stiff and non-stiff equations.
Fermentation
The Fermentation example illustrates the kinetics of the biochemical reactions in fermentation.
PK
Pharmacokinetics (PK) studies how the body absorbs, distributes, metabolizes, and excretes drugs over time. The PK example simulates this process. It demonstrates the numerical method choice and show how to prevent long computations.
PK-PD
PK-PD modeling simulates pharmacokinetics (PK), pharmacodynamics (PD), and their relationship. It is used in drug discovery and development. The PK-PD example illustrates the usage of the loop feature for dosing specification.
Acid production
Acid production models gluconic acid production by Aspergillus niger. This example shows the usage of the update feature for multistage simulation
Nimotuzumab
The Nimotuzumab example simulates population pharmacokinetic for nimotuzumab. It demonstrates how to specify models output.
Bioreactor
The Bioreactor example models the kinetic mechanism of controlled Fab-arm exchange for the formation of bispecific immunoglobulin G1 antibodies. It shows how to set lookup table with pre-defined model inputs. This feature allows users to switch between sets of model inputs with just a few clicks.
Pollution
The Pollution example describes a chemical reaction part of the air pollution model. It consists of 25 reaction and 20 reacting compounds. This example illustrates the capability of Diff Studio to solve large systems of stiff equations.
See also