Khan2022 - QcrB Inhibition Prediction with Machine Learning Protocol

The cytochrome bcc complex (QcrB) is a subunit of the mycobacterial cyt-bcc-aa3 oxidoreductase, and it has been suggested as a good M.tb target due to the bacteria's dependence on oxidative phosphorylation for its growth. The authors use a dataset of 352 molecules, of which 277 are classified as active (QIM QIM 20).

Model Type: Predictive machine learning model.
Model Relevance: The model predicts a compound for QcrB Inhibition.
Model Encoded by: Gemma Turon (Ersilia)
Metadata Submitted in BioModels by: Zainab Ashimiyu-Abdusalam

Implementation of this model code by Ersilia is available here:
https://github.com/ersilia-os/eos24jm