Comparison of software tools for kinetic evaluation of chemical degradation data.

ABSTRACT:

Background

For evaluating the fate of xenobiotics in the environment, a variety of degradation or environmental metabolism experiments are routinely conducted. The data generated in such experiments are evaluated by optimizing the parameters of kinetic models in a way that the model simulation fits the data. No comparison of the main software tools currently in use has been published to date. This article shows a comparison of numerical results as well as an overall, somewhat subjective comparison based on a scoring system using a set of criteria. The scoring was separately performed for two types of uses. Uses of type I are routine evaluations involving standard kinetic models and up to three metabolites in a single compartment. Evaluations involving non-standard model components,

SUBMITTER: Ranke J 

PROVIDER: S-EPMC5960009 | biostudies-literature | 2018

REPOSITORIES: biostudies-literature