biostudies-otherUnknown180Zainab Ashimiyu-AbdusalamCell688-702.e13Homo sapienshttps://www.ebi.ac.uk/biostudies/studies/MODEL2405080006biostudies-other32084340Zainab Ashimiyu-AbdusalamMiquel Duran-FrigolafalseStokes2020 - Antibiotics discovery using deep learning approach (Antiviral implementation)<p>This model was developed to support the early efforts in the identification of novel drugs against SARS-CoV2. It predicts the probability that a small molecule inhibits SARS-3CLpro-mediated peptide cleavage. It was developed using a high-throughput screening against the 3CL protease of SARS-CoV1, as no data was yet available for the new virus (SARS-CoV2) causing the COVID-19 pandemic. It uses the ChemProp model.</p><p><normal>Model Type:</normal> Predictive machine learning model.<br><normal>Model Relevance:</normal> Probability of 3CL protease inhibition.<br><normal>Model Encoded by:</normal> Miquel Duran-frigola (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/eos9f6t">https://github.com/ersilia-os/eos9f6t</a></p><img src="https://www.ebi.ac.uk/biomodels/static-assets/images/ersilia-logo.png" alt="Ersilia Logo" width="150">2024-05-08T00:00:00Z2025-07-14T17:02:29.521Z2025-03-31T13:25:51.725ZMODEL2405080006STATO:0000274STATO:000003100023050000348070000432084340NCIT:C1907C171133C281NCIT:C16309NCIT:C190795NCIT:C176258NCIT:C17429C154407C45329NCIT:C184960topic_3336topic_0154topic_3474CHEMINF:0000186940099606chempropeos9f6t0005741