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Herein, we present HDACiAP (https:\/\/hdac.kangsgo.cn), a meticulously curated, comprehensive database and analytical platform dedicated to HDAC inhibitors. HDACiAP currently encompasses 32,721 compounds with 123,154 bioactivity records, integrating multidimensional data such as physicochemical properties, biological activities, toxicity predictions, compound selectivity annotations, computationally generated docking poses, and protein\u2013ligand interaction profiles. The platform incorporates built-in molecular docking and integrated machine learning and deep learning-based prediction modules, enabling users to evaluate the potency of novel compounds. Additionally, HDACiAP offers an intuitive visualization interface, multimodal search capabilities, and programmatic access via RESTful APIs. In summary, by providing a curated bioactivity resource together with computational docking annotations and predictive models, HDACiAP offers a practical platform for exploring HDAC inhibitor chemical space, supporting preliminary virtual screening, and facilitating AI-assisted discovery of HDAC-targeted compounds.<\/jats:p>","DOI":"10.1021\/acs.jcim.6c00572","type":"journal-article","created":{"date-parts":[[2026,9,21]],"date-time":"2026-09-21T07:01:58Z","timestamp":1789974118000},"page":"12935-12947","source":"Crossref","is-referenced-by-count":0,"title":["HDACiAP: A Curated\nDatabase and Analytical Platform\nfor Histone Deacetylase Inhibitors"],"prefix":"10.1021","volume":"66","author":[{"given":"Yuhe","family":"Xiao","sequence":"first","affiliation":[{"name":"Hainan Normal University , , , ,","place":["Haikou, Hainan, P. R. China, 571158"]},{"name":"Hainan Normal University , , , ,","place":["Haikou, Hainan, P. R. 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