Comparison of observation-based and model-based identification of alert concentrations from concentration–expression data

Autor: Marianna Grinberg, Jan G. Hengstler, Franziska Kappenberg, Annette Kopp-Schneider, Jörg Rahnenführer, Xiaoqi Jiang
Rok vydání: 2021
Předmět:
Zdroj: Bioinformatics
Bioinformatics, 37(14):1990-1996
ISSN: 1460-2059
1367-4803
DOI: 10.1093/bioinformatics/btab043
Popis: Motivation An important goal of concentration–response studies in toxicology is to determine an ‘alert’ concentration where a critical level of the response variable is exceeded. In a classical observation-based approach, only measured concentrations are considered as potential alert concentrations. Alternatively, a parametric curve is fitted to the data that describes the relationship between concentration and response. For a prespecified effect level, both an absolute estimate of the alert concentration and an estimate of the lowest concentration where the effect level is exceeded significantly are of interest. Results In a simulation study for gene expression data, we compared the observation-based and the model-based approach for both absolute and significant exceedance of the prespecified effect level. Results show that, compared to the observation-based approach, the model-based approach overestimates the true alert concentration less often and more frequently leads to a valid estimate, especially for genes with large variance. Availability and implementation The code used for the simulation studies is available via the GitHub repository: https://github.com/FKappenberg/Paper-IdentificationAlertConcentrations. Supplementary information Supplementary data are available at Bioinformatics online.
Databáze: OpenAIRE