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    HERGAI: an artificial intelligence tool for structure-based prediction of hERG inhibitors by Viet-Khoa Tran-Nguyen, Ulrick Fineddie Randriharimanamizara, Olivier Taboureau

    Published 2025-07-01
    “…It also demonstrated superior screening power compared to virtual screening schemes that used existing scoring functions. This model, named “HERGAI,” along with relevant input/output data and user-friendly source code, is available in our GitHub repository ( https://github.com/vktrannguyen/HERGAI ) and can be used to predict drug-induced hERG blockade, even on large data sets.…”
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