Directions in QSAR Modeling for Regulatory Uses in OECD Member Countries, EU and in Russia

Abstract

The aim of this article is to show the main aspects of quantitative structure activity relationship (QSAR) modeling for regulatory purposes. We try to answer the question; what makes QSAR models suitable for regulatory uses. The article focuses on directions in QSAR modeling in European Union (EU) and Russia. Difficulties in validation models have been discussed.

Key Words:

• biokinetic modeling
• computational toxicology
• expert systems
• human health effects
• metabolism
• prediction
• quantitative structure-activity relationships (QSARs)
• registration
• evaluation and authorization of chemicals (REACH)
• regulatory agencies
• risk assessment
• structure-activity relationships (SARs)
• toxicity

Acknowledgements

The financial support of the European Union through CAESAR project (SSPI-022674) as well as of the Slovenian Ministry of Higher Education, Science and Technology (grant P1-017) is gratefully acknowledged.

The aim of this article is to show the main aspects of QSAR modeling for regulatory purposes. We try to answer the question: what makes QSAR models suitable for regulatory uses? The article focuses on directions in QSAR modeling in European Union (EU) and Russia. Difficulties in validation models have been discussed.