This script parses inhibition and IC50 data from Herreros et al 2015, combining their data into a single row of useful data for each given compound. The relevant tables (Tables 1 and 7) are included in this repo, in the /data directory. The output from the script is included as output.csv in the root directory of the repo. Running this script will overwrite this CSV file.
- Python 3.6+
- OpenPyXL for reading XLSX files
- Pytest for running tests
All requirements are included in the requirements.txt file. To install them, run pip install -r requirements.txt.
To run the script, simply run python compound_parser.py. This will output a file called output.csv in the current directory.
To run the tests, run pytest in the root directory of the repo.