toxic-alerts

There are 0 repository under toxic-alerts topic.

andresilvapimentel / SARAlerts
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.
adverse-drug-reaction interpretable-machine-learning machine-learning toxicology structural-alerts toxic-alerts
Language:Jupyter Notebook 5
andresilvapimentel / endocrine-disruption-explainer
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.
endocrine-disruptor explainable-artificial-intelligence interpretable-machine-learning machine-learning structural-alerts toxic-alerts toxicology
Language:Jupyter Notebook 1
andresilvapimentel / mutagen-explainer
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.
explainable-artificial-intelligence interpretable-machine-learning machine-learning mutagenicity structural-alerts toxic-alerts toxicology
Language:Jupyter Notebook 1

andresilvapimentel / SARAlerts