Nanotoxicology data for in silico tools: a literature review

The exercise of non-testing approaches in nanoparticles (NPs) hazard assessment is necessary for the risk assessment, considering cost and time efficiency, to identify, assess, and classify potential risks. One strategy for investigating the toxicological properties of a variety of NPs is by means of computational tools that decode how nano-specific features relate to toxicity and enable its prediction. This literature review records systematically the data used in published studies that predict nano (eco)-toxicological endpoints using machine learning models. Instead of seeking mechanistic interpretations this review maps the pathways followed, involving biological features in relation to NPs exposure, their physico-chemical characteristics and the most commonly predicted outcomes. The results, derived from published research of the last decade, are summarized visually, providing prior-based data mining paradigms to be readily used by the nanotoxicology community in computational studies.