in-house courses

The content for the courses will be reviewed to meet individual client requirements and the training can be delivered at any location that best suits the client


QSAR basics


  • Chemical identifiers and chemical structure

  • Molecular properties

  • Relationship between structure and properties: Expert rule-based methods and Statistical-based methods

QSARs for regulatory use


  • OECD principles for the Validation, for Regulatory Purpose, of (Q)SAR Models

  • Examples on how specific QSAR models can be evaluated with respect to the OECD principles

  • Regulatory reporting formats: QMRF and QPRF reports


  • Description of freely available and commercial QSAR software for regulatory toxicology

  • Demonstration of specific software

1 day


  • To appreciate the scientific basis of QSARs for the prediction of toxicity

  • To gain practical experience in the evaluation of statistically-based and rule-based QSARs according to the OECD principles

  • To gain practical experience in reporting a QSAR prediction in REACH regulation

  • To gain practical experience of relevant software packages


Scientists involved in chemical risk assessment and product development:

  • toxicologists

  • eco-toxicologists

  • chemists

  • chemoinformaticians

  • regulatory scientists

  • risk assessors

QSARs for regulatory use
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ToxNavigation Ltd. is a company registered in England and Wales. Registered number: 11114004. Registered office: Mole View, 158 Bridge Road, East Molesey, Surrey, KT8 9HW.