The Open Source Malaria group are running a competition to develop a computational model that predicts which molecules will block the malaria parasite's ion pump, PfATP4.

PfATP4 is an important target for the development of new drugs for malaria. We are providing a dataset of actives and inactives. The challenge is to use the data to develop a model that allows us to (better) design compounds that will be active against that target.

The competition will close on 31st March 2017.

The details of the competition can be found here https://github.com/OpenSourceMalaria/OSMToDo_List/issues/421 and the video below gives more information

There is a Jupyter notebook that can be used to to access the information here http://www.macinchem.org/reviews/osm/osmipython.php or you can access the information in this google document https://docs.google.com/spreadsheets/d/1Rvy6OiM291d1GNcyT6eSwC3lSuJ1jaR7AJa8hgGsc/edit#gid=510297618, but remember the competition is a predictive model for series 4 only.

More details on Open Source Malaria