BiotS or Biotransformation Susceptibility software was developed by Cefic LRI in collaboration with the Central Science Laboratory (CSL) as an outcome of the project ECO6: “Identifying Trans-Generic Biotransformation Potential”.
The software allows the user to enter the structure of a query molecule into the software and then search for the presence of susceptible fragments. If susceptible fragments are identified, the user can access the location of the fragments to make a decision on their likelihood to biotransformation, identify within which aquatic taxa the biotransformation has been observed and access biotransformation study information, AMBIT descriptors, metabolic pathway and bioproperty data for chemicals where the susceptible fragments have been observed metabolising within publicly available literature. For an overview of the software please click here.
BiotS has been developed as a standalone desktop application with a graphical user interface (GUI) in the programming language Java version 5. A recent version of Java can be freely downloaded from the Java website.
The final fragment library and additional parameter data are embedded into the user interface of BiotS. However, BiotS has been designed in such a way that it is possible to easily update the embedded data so that the analysis can incorporate new data when available. These new data could be either additional aquatic biotransformation data or data relating to the biotransformation/ metabolism of chemicals in new systems e.g. mammals or microbes. An in-built help system has also been incorporated into BiotS to allow users to learn how to use the software.
If you wish to install the BiotS software, please open the zip file here.
Update: the BiotS tool is no longer compatible with current operating systems.