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Using 21st Century Science to Improve Risk-Related Evaluations (2017) / Chapter Skim
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Appendix E: A Bayesian Example: Predicting DoseResponse Relationships from High-Throughput Data and Chemical Structure
Pages 179-182

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From page 179...
... By fitting the sensing of and initiation of metabolism in response a single Bayesian hierarchical model to the entire set of to xenobiotics that enter the body and has a role in lipid chemical-structure descriptors and dose–response curves, homeostasis. Activation of the PXR pathway is associ- the model can adapt the width of the uncertainty bands ated with beneficial and injurious processes, and mea- accordingly and accurately reflect the scope of available surements of the activation of PXR provide information information.
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From page 180...
... Under have related structures. the Bayesian nonparametric model used, two response In addition to improving estimation of the dose–remeasurements are assumed to be highly correlated a priori sponse curve for chemicals on which there are direct when the doses are similar and the chemical structures dose–response data, the approach can be used to predict are similar, and the correlation gradually decays as doses dose–response curves for chemicals on which there is inand structural features move farther apart.
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From page 181...
... The commituncertainty bands are wider than those shown in Figure tee used a nonparametric Bayesian approach with a GP E-2, as expected because the bands in Figure E-2 include prior; there is an increasing literature on applying simidirect observations of the dose–response curve, and the lar approaches in a rich variety of applications, and there dose–response prediction in Figure E-3 bases the estimat- are many packages for routinely fitting GP-based models ed relationship only on chemical-structure information. in practice (Vanhatalo et al.
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From page 182...
... 2010a. ties in the data sources and how much it makes sense to Analysis of eight oil spill dispersants using rapid, in vitro use the sources as reflected in the uncertainty bands.
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Key Terms

  • uncertainty bands
  • chemical structures
  • structural features
  • credible bands
  • bayesian hierarchical

  • chemical structure
  • relating chemical
  • chemical dose
  • nonparametric bayesian
  • toxcast phase

  • hierarchical model
  • wide uncertainty
  • bayesian methods
  • flexible bayesian
  • targeted testing

  • strong observed
  • nonparametric model
  • primary advantages
  • gradually decays
  • committee provides

  • accurately reflect
  • bayesian models
  • testing increasingly
  • chemical descriptors
  • modeling avoids

  • restrictive parametric
  • x receptor
  • available surements
  • exercise involves
  • nonlinear relationships


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