{"database":"biostudies-other","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["40"],"submitter":["Amina Mardiyyah Rufai"],"journal":["Molecular informatics"],"pagination":["e2000105"],"species":["Homo sapiens"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/MODEL2406210001"],"repository":["biostudies-other"],"additional_accession":["33067876"],"pubmed_authors":["Namratha Pavuluri","Zainab Ashimiyu-Abdusalam","Adegoke Faith Omolara","Amina Mardiyyah Rufai"]},"is_claimable":false,"name":"Li2021 - HDAC3i-Finder: A Machine Learning-based Computational Tool to Screen for HDAC3 Inhibitors","description":"<p>The model predicts the inhibitory potential of small molecules against Histone deacetylase 3 (HDAC3), a relevant human target for cancer, inflammation, neurodegenerative diseases and diabetes. The authors have used a dataset of 1098 compounds from ChEMBL and validated the model using the benchmark MUBD-HDAC3.</p><p><normal>Model Type:</normal> Predictive machine learning model.<br><normal>Model Relevance:</normal> Probability that the molecule is a HDAC3 inhibitor <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/eos1n4b\">https://github.com/ersilia-os/eos1n4b</a></p><img src=\"https://www.ebi.ac.uk/biomodels/static-assets/images/ersilia-logo.png\" alt=\"Ersilia Logo\" width=\"150\">","dates":{"release":"2024-06-21T00:00:00Z","modification":"2025-07-14T17:01:22.872Z","creation":"2025-03-31T13:26:53.274Z"},"accession":"MODEL2406210001","cross_references":{"obcs":["OBCS:0000059","OBCS:0000058"],"bao":["0000614","0002305"],"stato":["STATO:0000274","STATO:0000415","STATO:0000524","STATO:0000209","STATO:0000031"],"pubmed":["33067876"],"pr":["PR:000008482"],"ncit":["NCIT:C19672","C154898","NCIT:C16309","C154407","C45329"],"edam":["topic_3336","topic_0154","topic_3474"],"obi":["OBI_0200032"],"cheminf":["CHEMINF:000018"],"taxonomy":["9606"],"unknown":["HDAC3i-Finder","xgboost","unknown","eos1n4b"],"efo":["0005741"]}}