Quantitative structure-activity relationships (QSARs) in the European REACH system: Could these approaches be applied to nanomaterials?

Abstract

The European Union REACH system governs inventory of chemicals that are produced in large quantities (more than 1 ton per year). Since nanomaterials are becoming a distinct group of chemicals, differing from bulk substances by physicochemical properties and toxicity, the registration requirements for them should be reviewed and adapted according to their specificity. One of the promising computational techniques that can assist in obtaining required characteristics of the nanomaterials is (quantitative) structure-activity ((Q)SAR) methodology. This chapter reviews the current status of the nanomaterials under the REACH regulation and discusses the advances and challenges of (Q)SAR development for nanomaterials. Though this approach has been mainly applied to obtain information on physicochemical properties of selected nanospecies, its application to predict their toxicity will require genuine collaboration between modelers and experimentalists. © 2010 Springer Science+Business Media B.V.