Dataset Information

Khan2022 - QcrB Inhibition Prediction with Machine Learning Protocol

ABSTRACT: 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

SUBMITTER: Zainab Ashimiyu-Abdusalam