{"database":"biostudies-other","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["626"],"submitter":["Zainab Ashimiyu-Abdusalam"],"journal":["Nature"],"pagination":["177-185"],"species":["Staphylococcus aureus"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/MODEL2405080002"],"repository":["biostudies-other"],"additional_accession":["38123686"],"pubmed_authors":["Zainab Ashimiyu-Abdusalam"]},"is_claimable":false,"name":"Wong2024 - Discovery of a structural class of antibiotics with explainable deep learning","description":"<p>The authors use a large dataset (>30k) to train an explainable graph-based model to identify potential antibiotics with low cytotoxicity. The model uses a substructure-based approach to explore the chemical space. Using this method, they were able to screen 283 compounds and identify a candidate active against methicillin-resistant S. aureus (MRSA) and vancomycin-resistant enterococci.</p><p><normal>Model Type:</normal> Predictive machine learning model.<br><normal>Model Relevance:</normal> The model predicts the probability of growth inhibition.<br><normal>Model Encoded by:</normal> Sarima Chiorlu (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/eos18ie\">https://github.com/ersilia-os/eos18ie</a></p><img src=\"https://www.ebi.ac.uk/biomodels/static-assets/images/ersilia-logo.png\" alt=\"Ersilia Logo\" width=\"150\">","dates":{"release":"2024-05-08T00:00:00Z","modification":"2025-07-14T17:02:37.81Z","creation":"2025-03-31T13:25:42.975Z"},"accession":"MODEL2405080002","cross_references":{"mcro":["MCRO:0000026"],"bao":["0000094","0000348","0002305"],"stato":["STATO:0000274","STATO:0000549","STATO:0000031"],"pubmed":["38123686"],"ncit":["NCIT:C173515","C2890","NCIT:C16309","NCIT:C176258","NCIT:C17429","C154407","NCIT:C47824","NCIT:C19148","C45329","C258"],"edam":["topic_3336","topic_0154","topic_3474"],"obi":["OBI_0200032"],"cheminf":["CHEMINF:000018"],"taxonomy":["9606","1280"],"efo":["0005741"],"unknown":["antibioticsai","eos18ie","chemprop"]}}