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BBBP Explainer is a code to generate structural alerts using Local Interpretable Model-Agnostic Explanations (LIME) and SHapley Additive exPlanations (SHAP) of machine learning models from the BBBP dataset.
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BBBP Explainer is a code to generate structural alerts using Local Interpretable Model-Agnostic Explanations (LIME) of machine learning models from the BBBP dataset.
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BBBP Explainer means Blood-Brain Barrier Explainer.
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The BBBP Explainer framework is highly versatile (coded in Google Colab), with options that can be further developed and optimized by the users: it can accept any user-defined datasets (or datasets available in MoleculeNet repository), can use different fingerprints, data splitters, cross-validation methods, and any classification model from DeepChem library.
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