Repository of the paper :

How peptide migration and fraction bioactivity are modulated by applied electrical current conditions during electromembrane process separation: A comprehensive machine learning-based peptidomic approach.

This paper was published in Aurore Cournoyer's thesis :

Cournoyer, A. (2024). Étude de l’impact des conditions de courants électriques sur la séparation électromembranaire de fractions peptidiques antimicrobiennes à partir d’un hydrolysat de cruor porcin dans une perspective d’économie circulaire et identification de nouvelles séquences antifongiques [PhD thesis]. Laval University.

If you use this code, cite our paper :

Aurore Cournoyer, Mathieu Bazinet, Jean-Pierre Clément, Pier-Luc Plante, Ismail Fliss, Laurent Bazinet,
How peptide migration and fraction bioactivity are modulated by applied electrical current conditions during electromembrane process separation: A comprehensive machine learning-based peptidomic approach,
Food Research International, 2024, 115417, ISSN 0963-9969, https://doi.org/10.1016/j.foodres.2024.115417. (https://www.sciencedirect.com/science/article/pii/S096399692401487X)

How do you use the code

main.py creates the summary heatmaps found in the paper.

mean_values.py, median_values.py, three_values.py and mmit_values.py create the individual heatmaps.

feature_importance.py gets the feature importance for all experiments.

tree_similarity.py computes the Rand index between two classification trees.

Citation information :

@article{COURNOYER2024115417,
title = {How peptide migration and fraction bioactivity are modulated by applied electrical current conditions during electromembrane process separation: A comprehensive machine learning-based peptidomic approach},
journal = {Food Research International},
pages = {115417},
year = {2024},
issn = {0963-9969},
doi = {https://doi.org/10.1016/j.foodres.2024.115417},
url = {https://www.sciencedirect.com/science/article/pii/S096399692401487X},
author = {Aurore Cournoyer and Mathieu Bazinet and Jean-Pierre Clément and Pier-Luc Plante and Ismail Fliss and Laurent Bazinet},
}