🦠 Model Request: Demo Malaria Model

[LauraGomezjurado]

Model Name

Demo Malaria Model

Model Description

Prediction of the antimalarial potential of small molecules. This model was originally trained on proprietary data from various sources, up to a total of >7M compounds. The training sets belong to Evotec, Johns Hopkins, MRCT, MMV - St. Jude, AZ, GSK, and St. Jude Vendor Library. In this implementation, we have used a teacher-student approach to train a surrogate model based on ChEMBL data (2M molecules) to provide a lite downloadable version of the original MAIP

Slug

demo-malaria-model

Tag

Malaria, P.falciparum

Publication

https://jcheminf.biomedcentral.com/articles/10.1186/s13321-021-00487-2

Source Code

https://www.ebi.ac.uk/chembl/maip/

License

GPL-3.0-only

[DhanshreeA]

Hey @LauraGomezjurado! Thank you for this model suggestion! A small tip - Malaria Inhibitor Prediction might be a better suited name for the model. :) The same applies to the model slug as well.

[GemmaTuron]

Is this a demo for you to test @LauraGomezjurado ? We can approve it if that is the case and then close it after when you are ready to tackle your model incorporation
Let me know

[LauraGomezjurado]

Thank you Gemma! Yes this was just a demo to test as I was going through the documentation of the Ersilia book, it was the same test that is in the book