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endocrine-disruptor

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andresilvapimentel / endocrine-disruption-explainer

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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.

machine-learning toxicology explainable-artificial-intelligence interpretable-machine-learning endocrine-disruptor structural-alerts toxic-alerts
  • Updated Apr 11, 2024
  • Jupyter Notebook

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