Package "conc-QTc"

With our R scripts, formatting your dataset, running the conc-QTc analysis and generating a typical report takes only a few minutes. The method has been published in JPKPD: https://rdcu.be/elwuL.

Cellière, G., Krause, A., Bonnefois, G., Chauvin, J. (2025). Beyond the linear model in concentration-QT analysis. J Pharmacokinet Pharmacodyn 52, 31.

Download the conc-QTc R scripts and check out the step-by-step example.

Description of the R scripts

The R scripts provide a set of functions to perform a standard conc-QTc analysis from data preparation to report generation. The main functions are:

• process_QTcData(): format an input dataset for analysis by averaging triplicates, extracting baseline values, calculating QTc, etc

• generateAllQTcProjects(): generate Monolix projects to run a conc-QTC analysis using the standard linear model as well as alternative non-linear models

• quarto_render(input = "../_mlxQTcTools/QTc_quarto_allModels.qmd"): generate a report (e.g as Word document) using a Quatro template. The report contains exploratory data analysis plots, assessment of key modeling hypotheses, and modeling results.

Using the R scripts

The code is open and can be adjusted to the users needs. In order to use the code, download the .zip file, and unzip it to a convenient location. Note that MonolixSuite and the lixoftConnectors R package must be installed as well. Before calling the functions, the mlxQTcTools.R file should be sourced. See the examples for more details.

source('path_to_unzipped_location/_mlxQTcTools/mlxQTcTools.R')

Included files

The .zip is organized in the following way:

• _mlxQTcTools: contains the scripts to run the analysis

  • mlxQTcTools.R: contains the functions process_QTcData() and generateAllQTcProjects(), as well as auxiliary functions.

  • mlxReportingTools.R: contains auxiliary functions to generate the Quarto report

  • QTc_quarto_allModels.qmd: Quarto template for the report

  • models: contains the structural models to create Monolix projects in case of ΔQTc and ΔΔQTc with no effect, linear, Emax, Hill, or Logarithmic effect, with or wihtout effect compartment to create a delay.

• Example_XXX: one folder per example dataset containing

  • XXX_QTc_analysis.R: R script calling three main functions process_QTcData(), generateAllQTcProjects() and quarto_render() to do the analysis and report

  • SCR002_clinicalData4drugs_originalFile.xlsx: input dataset

  • XXX_formated.csv: formatted dataset generated by process_QTcData()

  • mlx_runs: monolix runs generated by generateAllQTcProjects()

  • XXX_QTc_report_allModels.docx: report generated by quarto_render()