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BBBP Explainer v2.0.0

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@andresilvapimentel andresilvapimentel released this 04 Apr 02:29
· 8 commits to main since this release
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BBBP Explainer is a code to generate structural alerts of blood-brain barrier penetrating and non-penetrating drugs using Local Interpretable Model-Agnostic Explanations (LIME) and SHapley Additive exPlanations (SHAP) of machine learning models from BBBP dataset.