/tools/AI4PFAS

AI4PFAS

AI4PFAS/AI4PFAS

GitHub
datasetcheminformaticstoolproperty-prediction
24 stars5 forksJupyter NotebookAdded February 4, 2026
summary

AI4PFAS is a repository that provides a dataset and code for predicting the toxicity of PFAS compounds using uncertainty-informed deep transfer learning. It includes various models and benchmarks for assessing toxicity, specifically focusing on LD50 values.

description

Dataset and code for "Uncertainty-Informed Deep Transfer Learning of PFAS Toxicity"

topics

pfas-toxicityuncertainty-neural-networksselectivenetcheminformaticsartificial-intelligencedeep-ensemblemachine-learningld50gpflowpytorchtensorflow2mordredrdkitgnn

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