OpenTox 2022 Virtual Conference 

Session 16 Summary 

• Welcome to the session and Introduce by Fred Klaessig and his connection to Nanoinformatics (co-editor with Andrea Haase of EU-US 2030 Roadmap)
• Connect the NanoInformatics session to earlier talks (Egon Willighagen and eNanoMapper on the first day and Shareen Doak with NAMs on the third day of OpenTox 2022)
• Nanomaterials are chemicals in particulate form, which means understanding their toxicological profiles has the added challenge of connecting studies in physico-chemical characterization (work by people like Fred Klaessig) with those conducting toxicity studies (work by people like Shareen Doak and NAMs).
• Effectively, physical chemistry studies will be re-purposed as in the GRACIOUS Framework, where particle dissolution and solubility become criteria for selecting toxicity endpoints, which in turn become involved with grouping particles according to similarity.
• With re-purposing, we move from the R of FAIR (reproducibility) to the I (interoperability), and this means we must consider other uses of our data when generating datasets, e.g. selection of metadata.
• Today’s three speakers address each of these points:
• Nastassja Lewinsski in applying natural language techniques to curate journal articles by computers rather than done manually;
• Antreas Afantitis in developing a suite of computational models that can be utilized in grouping or in predictive toxicology;
• Barry Hardy in highlighting the infrastructure that has been formalized through the NanoCommons project.