SARAlerts is a code to generate structural alerts (toxic alerts) using Local Interpretable Model-Agnostic Explanations (LIME) of machine learning models from Tox21, Clintox, and Sider datasets.

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) of machine learning models from BBBP dataset.

Endocrine Disruption Explainer is a code to generate structural alerts of endocrine disruption of chemcial compounds using Local Interpretable Model-Agnostic Explanations (LIME) of machine learning models from TOX-21, EDC, and EDKB-FDA datasets.

Mutagen Explainer is a code to generate structural alerts of mutagenicity of chemcial compounds using Local Interpretable Model-Agnostic Explanations (LIME) of machine learning models from Bursi and Hansen Ames mutagenicity datasets.

Cytochrome P450 and approved drugs