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Published February 25, 2023 | Version BBBPExplainer
Software Open

andresilvapimentel/bbbp-explainer: BBBP Explainer v1.0.0

  • 1. Pontifícia Universidade Católica do Rio de Janeiro (PUC-Rio)

Description

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.

Files

andresilvapimentel/bbbp-explainer-BBBPExplainer.zip

Files (8.3 MB)

Additional details