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EZ Mapper: Facilitating the Transformation of Chemical Evaluation Data for IUCLID Integration
Citation:
Wesner, M., R. Klein, K. Markey, AND R. Sayre. EZ Mapper: Facilitating the Transformation of Chemical Evaluation Data for IUCLID Integration. SOT, Salt Lake City, UT, March 10 - 14, 2024. https://doi.org/10.23645/epacomptox.25409008
Impact/Purpose:
Presentation to the Society of Toxicology (SOT) 63rd Annual Meeting and ToxExpo March 2024
Description:
Background and Purpose: The task of transforming reporting information used for the risk assessment of chemicals into a standard format presents a significant challenge. The Organisation for Economic Co-operation and Development (OECD) Harmonised Templates (OHTs) are standard data formats that aid in this process, allowing governments and industry to electronically exchange test study summary information. These OHTs provide structure to IUCLID (International Uniform ChemicaL Information Database), a key software application for both regulatory bodies and the chemical industry. IUCLID is used in the implementation of various regulatory programs such as the OECD Cooperative Chemicals Assessment Programme (CoCAP) and the EU legislation Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH). To further streamline this process, we present the EZ Mapper, an intuitive, machine-assisted user interface tool engineered to convert data summaries from any study report or publication or structured experimental information into harmonized templates, making them suitable for storage in IUCLID. The EZ Mapper offers an end-to-end workflow that simplifies the conversion process. Methods: The workflow begins by processing a chemical dataset into flat files. Natural language processing techniques are employed to parse each input field and suggest how the data should be mapped to a harmonized template. The mapping process occurs in two distinct stages. Initially, each data column is mapped to a corresponding section in each OHT. If this section contains a picklist field, the system then suggests suitable items from the picklist that aligns with the data for each. Then, each record is classified into a specific OHT using the established mappings and machine clustering techniques. At several stages through the process, users are given the opportunity to confirm or modify these classifications through the UI in a web browser. Once the mapping is confirmed by the user, the choices are saved, and the data is processed into a format compatible with the IUCLID Data Uploader plugin. Then the processed data is fed to the different nodes in Data Uploader plugin. The Data Uploader plugin is comprised of several workflow nodes, including connecting to an IUCLID database, reading processed data, data validation, and I6Z file generation. The I6Z file is an archive file with an extension i6z, which stands for "IUCLID 6 zip". An I6Z file has a well-defined and structured format that contains information on the IUCLID entities, documents, and attachments it contains. The Data Uploader converts the processed data into I6Z files that can either be directly uploaded to an IUCLID instance or saved to a local directory. Results: The result of running the EZ Mapper yields a dataset that is not only mapped to the appropriate OHT, but wherein each data point is also accurately mapped to the correct IUCLID code. The completed mapping is preserved for any other dataset that shares the same structure and similar content, enhancing the efficiency of future related mapping tasks. As a result, I6Z files, which are well-structured archive files encapsulating information on the IUCLID entities, documents, and attachments they contain, are generated. These files can either be directly loaded to an IUCLID instance or saved to a local directory, providing flexibility in data management. Furthermore, these I6Z files can be easily shared or extracted from IUCLID, facilitating seamless data exchange and collaboration. Conclusions: The EZ Mapper is an effective tool for converting chemical experiment datasets into a format that is compatible with IUCLID, thereby streamlining the process of storing and exchanging chemical information. It empowers individuals with domain knowledge of their chemical database to readily create I6Z files that adhere to the correct format and contain accurate information...
URLs/Downloads:
DOI: EZ Mapper: Facilitating the Transformation of Chemical Evaluation Data for IUCLID Integration
SOT2024POSTER_IUCLID_RSAYRE01_2024_02_22.PDF (PDF, NA pp, 767.652 KB, about PDF)