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    Prediction of blood-brain barrier permeability of compounds by machine learning algorithms by Feng, Tan wei, Raihana Zahirah, Edros, Ngahzaifa, Ab Ghani, Siti Umairah, Mokhtar, Dong, Ruihai

    Published 2024
    “…Among 4 ML algorithms, Extreme Gradient Boosting (XGBoost) overperformed in BBB permeability prediction and was chosen as the prediction model for deployment. …”
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