Validation of Computational Methods.

@article{Patlewicz2016ValidationOC,
  title={Validation of Computational Methods.},
  author={Grace Patlewicz and Andrew P. Worth and Nicholas S Ball},
  journal={Advances in experimental medicine and biology},
  year={2016},
  volume={856},
  pages={
          165-187
        }
}
In this chapter, we provide an overview of how (Quantitative) Structure Activity Relationships, (Q)SARs, are validated and applied for regulatory purposes. We outline how chemical categories are derived to facilitate endpoint specific read-across using tools such as the OECD QSAR Toolbox and discuss some of the current difficulties in addressing the residual uncertainties of read-across. Finally we put forward a perspective of how non-testing approaches may evolve in light of the advances in… CONTINUE READING
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