Database/structural model and report describing the relationships between functionality, physicochemical properties and hazard, and allowing for integration in the safe innovation approach
Creators: name: Shandilya Neeraj
name: Oosterwijk Thies
name: Carina, De Jong-Rubingh
name: Meesters Joris
name: Rodriguez Isabel
name: Garcia Amaia
name: Dekkers Susan
Publisher: name: Zenodo
Year: 2018
Subjects: Database
Safe Innovation Approach
Guide
Nanomaterial
Model

description: According to the description of work, this deliverable (D3.2) aims to describe the database model/structure that contains information on physicochemical parameters and toxicity, and physicochemical parameters and functionality on the other hand. The database will help to gain insight into physicochemical parameters optimally leading to best achievable safety levels without compromising functionality. The first draft of D3.2 was delivered in month 12 which was subsequently updated in month 24. The present deliverable in month 36 is the final version. Until M24, the database needs of all work packages have been defined and described in a document entitled “Analysis of the database needs and solutions”. To fulfill the database needs of the NanoReg2 project, a NanoReg2 working group was established, the Database Solution Team. Within this team, one uniform, harmonized database solution for the entire NanoReg2 project was formed. Within the database solution team, it has been decided that the main structure of the database will be based on the FP7 eNanoMapper project database software and data model. The database architecture follows the decision proposed and agreed<br> during Data Solution team meetings and consists of federated search architecture, integrating multiple projectspecific instances of eNanoMapper database (doi:10.3762/bjnano.6.165). These databases offer user friendly web interface and application programming interface and use the same software as previously described in publications and eNanoMapper deliverables. The eNanoMapper database instances for NANoREG, NanoTest, MARINA and NanoGenotox data were installed and updated several times with the physical chemical properties and toxicity of nanomaterials provided by the relevant projects (FP7 NANoREG, FP7 MARINA, FP7 NanoTest and the NanoGenotox). The input parameters of 8 tools in the SIA toolbox which encompass the nanomaterials and information relating to their characterisation, as well as information describing relevant experimental paradigms and biological interactions were linked with the NanoReg2 database and their ontology references. On the similar grounds, the tool parameters, related to the nanomaterial exposure, were linked with NECID (Nano Exposure &amp; Contextual Information Database). These 9 tools were LICARA NanoSCAN, GUIDEnano Tool, NanoSafer 1.1, Stoffenmanager nano, NanoRiskCat, Swiss Precautionary Matrix, Control Banding Nanotool, SUNDS and the Future nano Needs Bayesian belief network. The complexity level of the linking was kept at first level which provides the user with the relevant endpoints investigated that match with the meaning of the specific parameters in the tool. The input parameters of these tools were also mapped against the availability of their corresponding data in the two databases to find the data gaps. While the functionality of nanomaterials has been described using the NanOn ontology (T3.2 of the NanoReg2 project), the activities on how to effectively implement its link with the exposure data in the NanoReg2 database is still ongoing. The concept of nanomaterials functionality has been described in the Working Document of functionality, which will be integrated into the Safe Innovation Guidance Manual at the end of the project. A proposal of integration of such data has been suggested by INM (proposing a structural data model for functionality and its linkage to the physicochemical data already available), the feasibility to integrate such data into the eNanoMapper database has been discussed with and confirmed by IDEA. In the present M36 version, a user guidance is included in the deliverable which furthers the complexity level of the linking between the input parameters and the databases to second level. At the second level, the information on actual assays that are relevant for the specific input parameter from the NanoReg2 database are provided and matched with the exact meaning of the parameter in the tool with input of INM. This is achieved by providing a user guidance which assists the user in deciding the most relevant assay for both the particular parameter and the type of the nanomaterial or product being assessed. It guides the user, step-bystep, in retrieving the data from the NanoReg2 database. Furthermore the link between the eNanoMapper database and NECID has been updated. The data in the NanoReg2 database has been extended with data on exposure originating from TNO exposure data in the NECID database structure.