Hi! This repository is no longer active on GitHub.
Our research group (b2slab) has moved away from GitHub as part of our commitment to EU data sovereignty (keeping our development tooling and data under infrastructure and governance that better aligns with European requirements and values).
The active repository is now hosted on Forgejo here: https://dev.b2s.club/b2slab/open-malaria
If you landed here from an old link, please update your remotes and bookmarks. Thanks!
QSAR ML model from Open-Malaria data
Taking profit of a competition from the Open Source Malaria project, which provides a collection of molecules and their activity against the malaria parasite's ion pump, PfATP4, a machine learning-based QSAR model was developed. This model aims to predict which molecules will block this target by screening Drugbank and propietary marine molecules libraries.
All analyses were perfomed in Mac mini6,2 (i7, 16GB RAM)