TP_predict - Predict TPs and create suspect lists
This collection of scripts allows the user to reproduce the TP prediction and data analyses presented in the following publication:
Trostel, L. & Coll, C., Fenner, K., Hafner, J. Synergy of predictive and analytical methods advances elucidating biotransformation processes in activated sludge, 2023. [insert DOI]
The tools can further be used to perform the same predictions and analyses on a different set of compounds.
- TP_prediction: Script to predict TPs and corresponding biodegradation pathways
- File_conversion: Conversion of prediction output to input for suspect screening tools
Specific user guidance can be found in the README.md files of the content folders.
To fetch the code from the git repository, open a terminal and run:
$ git clone [insert link]
To install the dependencies, go to the nicepath directory and run:
$ cd TP_predict $ make
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