??A new #WorldFAIR deliverable targeted towards #nanoinformatics model developers presents a set of recommendations and prototypes for #FAIRification of nanoinformatics tools and models. It is a stand-alone document focused on FAIRification of nanoinformatics tools and software primarily, addressing also FAIRIfication of the underpinning (and resulting) datasets. Organisation of the datasets into ready-for-modelling formats, for example via #NanoPharos, and use of #KNIME nodes to integrate the datasets directly into the modelling software, and the resulting predictions and validation statistics back into the database for further re-use are also emphasised.? This report provides an analysis of the direction FAIRification of nanoinformatics software could/should take. The report provides examples of the approaches and best practice that have emerged from Horizon 2020-funded (H2020) nanosafety-specific projects, including? #NanoCommons,? #NanoSolveIT,? #RiskGONE,? #CompSafeNano?to support #FAIRsoftware. Approaches and best practice examples include the documentation of models and software via existing and emerging metadata standards, establishment of a registry of nanoinformatics models, deployment of predictive models as web applications or application programming interfaces and a demonstration of model interoperability and enhanced re-usability via containerisation and deployment via a cloud platform. Read more ?? https://lnkd.in/e9tKEy8a
