Concerns about the safety of manufacturing and using engineered nanomaterials (ENMs) have been increasing over the past twenty years as the technology continues to expand. Efforts have been underway to investigate the potentially harmful effects of ENMs without carrying out the challenging empirical studies. To make such investigations possible, the US EPA Office of Research and Development (ORD) developed the nanomaterial database NaKnowBase (NKB) containing the nanoinformatics detail of hundreds of assays conducted and published by ORD scientists, experimentally investigating the environmental health and safety effects of ENMs (nanoEHS). This article describes specifics of the effort to mine, refine, and analyse the nanoinformatics contained within NKB. A Quantitative Structure Activity Relationship (QSAR) analysis uses a random forest of decision trees to predict the nanoEHS effects that occur upon exposure to ENMs similar in composition and structure and range of laboratory conditions. These predictions can be made using the Jaqpot web-interface developed by the National Technical University of Athens, Greece (NTUA) where nanoEHS is investigated with many groups working together.

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