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      TKPlate 1.0: An Open‐access platform for toxicokinetic and toxicodynamic modelling of chemicals to implement new approach methodologies in chemical risk assessment

      editorial

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          Most cited references35

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          The CompTox Chemistry Dashboard: a community data resource for environmental chemistry

          Antony J. Williams, Christopher Grulke, Jeff Edwards … (2018)
          Despite an abundance of online databases providing access to chemical data, there is increasing demand for high-quality, structure-curated, open data to meet the various needs of the environmental sciences and computational toxicology communities. The U.S. Environmental Protection Agency’s (EPA) web-based CompTox Chemistry Dashboard is addressing these needs by integrating diverse types of relevant domain data through a cheminformatics layer, built upon a database of curated substances linked to chemical structures. These data include physicochemical, environmental fate and transport, exposure, usage, in vivo toxicity, and in vitro bioassay data, surfaced through an integration hub with link-outs to additional EPA data and public domain online resources. Batch searching allows for direct chemical identifier (ID) mapping and downloading of multiple data streams in several different formats. This facilitates fast access to available structure, property, toxicity, and bioassay data for collections of chemicals (hundreds to thousands at a time). Advanced search capabilities are available to support, for example, non-targeted analysis and identification of chemicals using mass spectrometry. The contents of the chemistry database, presently containing ~ 760,000 substances, are available as public domain data for download. The chemistry content underpinning the Dashboard has been aggregated over the past 15 years by both manual and auto-curation techniques within EPA’s DSSTox project. DSSTox chemical content is subject to strict quality controls to enforce consistency among chemical substance-structure identifiers, as well as list curation review to ensure accurate linkages of DSSTox substances to chemical lists and associated data. The Dashboard, publicly launched in April 2016, has expanded considerably in content and user traffic over the past year. It is continuously evolving with the growth of DSSTox into high-interest or data-rich domains of interest to EPA, such as chemicals on the Toxic Substances Control Act listing, while providing the user community with a flexible and dynamic web-based platform for integration, processing, visualization and delivery of data and resources. The Dashboard provides support for a broad array of research and regulatory programs across the worldwide community of toxicologists and environmental scientists. Electronic supplementary material The online version of this article (10.1186/s13321-017-0247-6) contains supplementary material, which is available to authorized users.
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            Guidance on the use of the weight of evidence approach in scientific assessments

            Anthony Hardy, Diane Benford, Thorhallur Halldorsson … (2017)
            Abstract EFSA requested the Scientific Committee to develop a guidance document on the use of the weight of evidence approach in scientific assessments for use in all areas under EFSA's remit. The guidance document addresses the use of weight of evidence approaches in scientific assessments using both qualitative and quantitative approaches. Several case studies covering the various areas under EFSA's remit are annexed to the guidance document to illustrate the applicability of the proposed approach. Weight of evidence assessment is defined in this guidance as a process in which evidence is integrated to determine the relative support for possible answers to a question. This document considers the weight of evidence assessment as comprising three basic steps: (1) assembling the evidence into lines of evidence of similar type, (2) weighing the evidence, (3) integrating the evidence. The present document identifies reliability, relevance and consistency as three basic considerations for weighing evidence.
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              Guidance on harmonised methodologies for human health, animal health and ecological risk assessment of combined exposure to multiple chemicals

              Simon John More, Vasileios Bampidis, Diane Benford … (2019)
              Abstract This Guidance document describes harmonised risk assessment methodologies for combined exposure to multiple chemicals for all relevant areas within EFSA's remit, i.e. human health, animal health and ecological areas. First, a short review of the key terms, scientific basis for combined exposure risk assessment and approaches to assessing (eco)toxicology is given, including existing frameworks for these risk assessments. This background was evaluated, resulting in a harmonised framework for risk assessment of combined exposure to multiple chemicals. The framework is based on the risk assessment steps (problem formulation, exposure assessment, hazard identification and characterisation, and risk characterisation including uncertainty analysis), with tiered and stepwise approaches for both whole mixture approaches and component‐based approaches. Specific considerations are given to component‐based approaches including the grouping of chemicals into common assessment groups, the use of dose addition as a default assumption, approaches to integrate evidence of interactions and the refinement of assessment groups. Case studies are annexed in this guidance document to explore the feasibility and spectrum of applications of the proposed methods and approaches for human and animal health and ecological risk assessment. The Scientific Committee considers that this Guidance is fit for purpose for risk assessments of combined exposure to multiple chemicals and should be applied in all relevant areas of EFSA's work. Future work and research are recommended.
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                Author and article information

                Contributors
                Jean Lou C. M. Dorne: jean-lou.dorne@efsa.europa.eu
                Journal
                Journal ID (nlm-ta): EFSA J
                Journal ID (iso-abbrev): EFSA J
                Journal ID (doi): 10.1002/(ISSN)1831-4732
                Journal ID (publisher-id): EFS2
                Title: EFSA Journal
                Publisher: John Wiley and Sons Inc. (Hoboken )
                ISSN (Electronic): 1831-4732
                Publication date (Electronic): 14 November 2023
                Publication date Collection: November 2023
                Volume: 21
                Issue: 11 ( doiID: 10.1002/efs2.v21.11 )
                Electronic Location Identifier: e211101
                Author notes
                [*] [* ]Correspondence Email: jean-lou.dorne@ 123456efsa.europa.eu
                Article
                Publisher ID: EFS2211101
                DOI: 10.2903/j.efsa.2023.e211101
                PMC ID: 10644227
                PubMed ID: 38027439
                SO-VID: 681ecea3-4487-4d29-ac09-471908cdaa60
                Copyright © © 2023 European Food Safety Authority. EFSA Journal published by Wiley‐VCH GmbH on behalf of European Food Safety Authority.
                License:

                This is an open access article under the terms of the http://creativecommons.org/licenses/by-nd/4.0/ License, which permits use and distribution in any medium, provided the original work is properly cited and no modifications or adaptations are made.

                History
                Page count
                Figures: 6, Tables: 0, Pages: 11, Words: 6670
                Categories
                Subject: Editorial
                Subject: Editorial
                Custom metadata
                source-schema-version-number 2.0
                cover-date November 2023
                details-of-publishers-convertor Converter:WILEY_ML3GV2_TO_JATSPMC version:6.3.4 mode:remove_FC converted:14.11.2023

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