biostudies-otherUnknown7Zainab Ashimiyu-AbdusalamACS omega18094-18102Homo sapienshttps://www.ebi.ac.uk/biostudies/studies/MODEL2405080004biostudies-other35664614Zainab Ashimiyu-AbdusalamGemma TuronfalseKhan2022 - QcrB Inhibition Prediction with Machine Learning Protocol<p>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 < 1 uM), 58 as moderately active ( 1 > QIM < 20 uM) and 78 as inactive (QIM > 20).</p><p><normal>Model Type:</normal> Predictive machine learning model.<br><normal>Model Relevance:</normal> The model predicts a compound for QcrB Inhibition.<br><normal>Model Encoded by:</normal> Gemma Turon (Ersilia)<br><normal>Metadata Submitted in BioModels by:</normal> Zainab Ashimiyu-Abdusalam</p><p>Implementation of this model code by <a href="https://ersilia.io/">Ersilia</a> is available here: <br><a href="https://github.com/ersilia-os/eos24jm">https://github.com/ersilia-os/eos24jm</a></p><img src="https://www.ebi.ac.uk/biomodels/static-assets/images/ersilia-logo.png" alt="Ersilia Logo" width="150">2024-05-08T00:00:00Z2025-07-14T17:02:33.592Z2025-03-31T13:25:47.09ZMODEL2405080004MCRO:0000009topic_3336topic_0154topic_3474CHEBI:3323117739606dataeos24jmOGG_30008874000005741STATO:0000274STATO:0000233STATO:0000134STATO:0000415STATO:0000524STATO:0000416STATO:00000310000094000230535664614NCIT:C3423NCIT:C78542NCIT:C61376NCIT:C16309C154407C45329OBI_0200032CHEMINF:000018OMIT:0007314