ChemoRe is an easy to use software tool in combination with the ENFSI “guideline for the use of chemometrics in forensic chemistry” to introduce common practices of chemometrics in the everyday work tasks of forensic scientists. The software tool aims to provide an easy starting point for a forensic chemist to apply chemometrics. The guideline and software tool will support routine forensic work and help create high quality measures and processes that authorities can rely on.
Starting with an Excel sheet or csv-file containing your data, ChemoRe guides you through the process of development and application of selected chemometric methods frequently applied in forensic chemistry.
The intuitive software offers the possibility to observe the influence of data pretreatment and application of different chemometric methods on a data set in order to find a chemometric method that fits to the individual problem or forensic question that has to be solved respectively answered. Whenever possible, graphical views of the calculations are implemented to assist the interpretation of the calculated results.
To keep the software as simple as possible some restrictions in the number of data pretreatment and chemometric methods have been made. However, by use of a literature survey the most frequent chemometric methods were implemented in ChemoRe.
ChemoRe is based on R, a free software environment for statistical computing and graphics (https://www.r-project.org/) and depends heavily on the shiny-package (Winston Chang, Joe Cheng, JJ Allaire, Yihui Xie and Jonathan McPherson (2020). shiny: Web Application Framework for R (https://CRAN.R-project.org/package=shiny). The guideline is available on the ENFSI website (http://enfsi.eu/documents/forensic-guidelines/).
The software ChemoRe, its validation report and the user manual are made available via the request form. For downloading ChemoRe please complete the request form and notice that your name, affiliation and email-address of your authority is required to get access.