PT - JOURNAL ARTICLE
AU - Yang, Ming
AU - Yang, Louis Z.
TI - Determining a reasonable range of relative numerical tolerance values for simulating deterministic models of biochemical reactions
AID - 10.1101/256214
DP - 2018 Jan 01
TA - bioRxiv
PG - 256214
4099 - http://biorxiv.org/content/early/2018/01/29/256214.short
4100 - http://biorxiv.org/content/early/2018/01/29/256214.full
AB - What values of relative numerical tolerance should be chosen in simulation of a deterministic model of a biochemical reaction is unclear, which impairs the modeling effort since the simulation outcomes of a model may depend on the relative numerical tolerance values. In an attempt to provide a guideline to selecting appropriate numerical tolerance values in simulation of in vivo biochemical reactions, reasonable numerical tolerance values were estimated based on the uncertainty principle and assumptions of related cellular parameters. The calculations indicate that relative numerical tolerance values can be reasonably set at or around 10−4 for the concentrations expressed in ng/L. This work also suggests that further reducing relative numerical values may result in erroneous simulation results.