ABSTRACT
In silico nanotoxicology is the combination of information technology with chemistry and biology to predict the toxicity of nanomaterials. In recent years, in silico studies have significantly improved our understanding of NP toxicity. In silico nanotoxicology approaches are of keen interest in both academia and industry. This chapter aims to identify perspectives and challenges in the field of in silico nanotoxicology. The most significant achievements of computational approaches for nanotoxicity evaluation are highlighted. Existing methods, models, and tools of the computational characterization and evaluation are briefly reviewed. Gaps in the research framework are also highlighted and solutions are discussed. Possible steps of improvement of in silico tools applied to nanotoxicology are presented. In silico testing will provide economic benefits and reduce ethical concerns arising from animal testing.
