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Modelling pipeline for predicting molecular initiating events

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Modelling pipeline for predicting molecular initiating events

Author: Charles Gong

Official repository for the paper "Epistemic uncertainty is correlated to applicability domain in Bayesian neural networks for toxicological risk assessment"

Contains methods and experiments for validating uncertainty quantification metrics and interpretations in regression models on toxicological data.

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  • Python 60.1%
  • PureBasic 39.9%