Materials, Methods & Technologies, Volume 14, 2020

Abstract: In the NanoInformaTIX project we are developing a sustainable data management and multi-scale modelling framework to facilitate the (eco)toxicity and exposure assessment of engineered nanomaterials (ENMs) for the purposes of more cost-effective risk analysis and safety by design. This framework will be implemented as a web-based platform specifically tailored to the needs of stakeholders from industry, regulators and academia. The platform will be implemented as a digital EU hub connecting relevant databases to nanoinformatics models covering Materials, Exposure, Physiologically-Based Pharmacokinetics (PBPK), Quantitative-Structure-Activity Relationships (QSAR) and System Biology to support in vitro-in vivo extrapolations (IVIVE), grouping and read-across. The databases and models will be linked to the platform by means of a common Application Programming Interface (API) to enable real-time updating of the models by their developers. To establish interoperability between models and/or data repositories we adopted the Modelling Data Elements (MODA) scheme of the European Materials Modelling Council. This will enable the user to design chains of data sources and models corresponding to specific analyses (e.g. prediction of genotoxicity, dose-response assessment, IVIVE). The model inputs and outputs will be clearly documented, while the results of the analyses will be presented as both dynamic charts and textual reports. To obtain optimal confidence in the use of the platform, the models, their applicability domains, and the steps to create the model chains will be carefully documented according to established standards and Good Practices.