Chapter 6
Validation of Computational Methods
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 readacross
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 new and emerging technologies and how these fit within the Adverse
Outcome Pathway (AOP) framework.
PATLEWICZ Grace;
WORTH Andrew;
BALL Nicholas;
2016-10-27
Springer
JRC103040
978-3-319-33824-8,
0065-2598,
http://www.springer.com/series/5584,
https://publications.jrc.ec.europa.eu/repository/handle/JRC103040,
10.1007/978-3-319-33826-2,
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