Predicting Toxicity of Nanomaterials Using QSAR Methods: A Review

Nanomaterials have unique chemical, physical and mechanical properties which make them suitable for a variety of applications including fuel cells, photovoltaic devices, biosensors and drug delivery. These unique properties may result in beneficial biological responses or even toxic effects. Therefore, it is essential to evaluate the properties of nanomaterials and their role in imparting toxicity. Computational methods such as quantitative structure-activity relationship (QSAR) help in assessing the toxicity of chemical compounds including nanomaterials by identifying the relationships between their physiochemical properties and their biological activities. This review chapter describes the prediction of toxicity in nanomaterials through QSAR modeling. It also gives a review of recent applications of assessing the toxicity of nanomaterials using QSAR.