Construction of an In Silico Structural Profiling Tool Facilitating Mechanistically Grounded Classification of Aquatic Toxicants

Author:

Firman James W.1,Ebbrell David J.1,Bauer Franklin J.2,Sapounidou Maria1ORCID,Hodges Geoff3,Campos Bruno3,Roberts Jayne3,Gutsell Steve3,Thomas Paul C.2,Bonnell Mark4,Cronin Mark T. D.1ORCID

Affiliation:

1. School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Byrom Street, Liverpool L3 3AF, U.K.

2. KREATiS SAS, 23 rue du Creuzat, ZAC de St-Hubert 38080, L′Isle d′Abeau, France

3. Safety and Environmental Assurance Centre, Unilever, Colworth Science Park, Sharnbrook, Bedford MK44 1LQ, Bedfordshire, U.K.

4. Science and Risk Assessment Directorate, Environment & Climate Change Canada, 351 St. Joseph Blvd, Gatineau, Quebec K1A 0H3, Canada

Publisher

American Chemical Society (ACS)

Subject

Environmental Chemistry,General Chemistry

Reference43 articles.

1. The Role of Omics in the Application of Adverse Outcome Pathways for Chemical Risk Assessment

2. United Nations Environment Programme (UNEP). Global Chemicals Outlook II: From Legacies to Innovative Solutions. 2019 https://www.unep.org/resources/report/global-chemicals-outlook-ii-legacies-innovative-solutions (accessed November 4, 2021).

3. International Council of Chemical Associations (ICCA). Catalyzing Growth and Addressing Our World′s Sustainability Challenges. 2019 https://www.oxfordeconomics.com/resource/the-global-chemical-industry-catalyzing-growth-and-addressing-our-world-sustainability-challenges/ (accessed November 4, 2021).

4. European Chemicals Agency (ECHA). Guidance for identification and naming of substances under REACH and CLP. 2017 https://echa.europa.eu/-/guidance-for-identification-and-naming-of-substances-under-reach-and-clp (accessed November 4, 2021).

5. United States Environmental Protection Agency (US EPA). Toxic Substances Control Act (TSCA) Chemical Substance Inventory. https://www.epa.gov/tsca-inventory (accessed November 4, 2021).

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