QSAR in risk assessment of nanomaterials

For the past few decades, engineered nanomaterials (ENMs) have revolutionized many areas of life and significantly improved products and electronic devices. However, materials in the nanoscale also showed undesirable effects on human health and the environment. Hence, rapid and cost-effective methods for evaluating the safety of ENMs are desired. This chapter provides guidance for applying a (quantitative) structure–activity/property relationship (QSAR/QSPR) modeling approach to predict the biological and physical properties of ENMs. The application of nano-QSAR is of particular value from the perspective of (1) a registrant who has identified and intends to use QSAR/QSPR in the registration process; (2) a manufacturer who intends to apply a safe-by-design approach in new product development; (3) a scientist focusing on nanotoxicology. The principles in this chapter respond to the regulations introducing the definition of nanomaterials and nanoforms of substances by supporting the adaptation of the QSAR/QSPR methodology to predict their fundamental properties.