Toxicology has been an active research field for many decades, with academic, industrial and government involvement. Modern omics and computational approaches are changing the field, from merely disease-specific observational models into target-specific predictive models. Traditionally, toxicology has strong links with other fields such as biology, chemistry, pharmacology and medicine. With the rise of synthetic and new engineered materials, alongside ongoing prioritisation needs in chemical risk assessment for existing chemicals, early predictive evaluations are becoming of utmost importance to both scientific and regulatory purposes. ELIXIR is an intergovernmental organisation that brings together life science resources from across Europe. To coordinate the linkage of various life science efforts around modern predictive toxicology, the establishment of a new ELIXIR Community is seen as instrumental. In the past few years, joint efforts, building on incidental overlap, have been piloted in the context of ELIXIR. For example, the EU-ToxRisk, diXa, HeCaToS, transQST, and the nanotoxicology community have worked with the ELIXIR TeSS, Bioschemas, and Compute Platforms and activities. In 2018, a core group of interested parties wrote a proposal, outlining a sketch of what this new ELIXIR Toxicology Community would look like. A recent workshop (held September 30th to October 1st, 2020) extended this into an ELIXIR Toxicology roadmap and a shortlist of limited investment-high gain collaborations to give body to this new community. This Whitepaper outlines the results of these efforts and defines our vision of the ELIXIR Toxicology Community and how it complements other ELIXIR activities.

AIMMS Division of Molecular Toxicology Vrije Universiteit Amsterdam 1081 HZ The Netherlands

Bioinformatics and Biostatistics Hub Institut Pasteur Paris F 75015 France

Center for Computational Toxicology and Exposure United States Environmental Protection Agency Research Triangle Park NC 27711 USA

Chemotargets SL Barcelona 08028 Spain

Data Readiness Group Department of Engineering Science University of Oxford Oxford UK

Data Sciences and Quantitative Biology Discovery Sciences AstraZeneca Cambridge UK

Department Biotechnology and Systems Biology National Institute of Biology Ljubljana 1000 Slovenia

Department Environmental Chemistry Swiss Federal Institute of Aquatic Science and Technology Dübendorf 8600 Switzerland

Department Evolutionary Ecology and Environmental Toxicology Goethe University Frankfurt D 60438 Germany

Department of Bioinformatics BiGCaT Maastricht University Maastricht 6229 ER The Netherlands

Department of Computer Science Heriot Watt University Edinburgh UK

Department of Environment and Geography University of York UK York YO10 5NG UK

Department of Medical Biochemistry and Biophysics Karolinska Institute Stockholm 17177 Sweden

Department of Pharmaceutical Biosciences and Science for Life Laboratory Uppsala University Uppsala SE 75124 Sweden

Department of Pharmaceutical Sciences University of Vienna Vienna 1090 Austria

Department of Physical Chemistry Palacky University Olomouc Olomouc 77146 Czech Republic

Department of Respiratory Medicine and Allergy Karolinska University Hospital Stockholm SE 141 86 Sweden

Department of Toxicogenomics Maastricht University Maastricht 6200 MD The Netherlands

Department of Toxicology Misvik Biology Turku 20520 Finland

Division of Drug Discovery and Safety Leiden Academic Center for Drug Research Leiden 2333 CC The Netherlands

ELIXIR Hub Wellcome Genome Campus Cambridge CB10 1SD UK

Environmental Institute Koš 97241 Slovakia

Faculty of Pharmacy Malaria Research and Training Center Bamako BP 1805 Mali

Forschungs und Beratungsinstitut Gefahrstoffe GmbH Freiburg im Breisgau 79106 Germany

Helmholtz Centre for Environmental Research UFZ Leipzig 04318 Germany

Ideaconsult Ltd Sofia Bulgaria

Institut d'Investigacio Sanitaria Pere Virgili Universitat Rovira i Virgili Tarragona 43007 Spain

Institut Français de Bioinformatique Evry F 91000 France

Institute of Biophysics and Biomedical Engineering Bulgarian Academy of Sciences Sofia 1113 Bulgaria

Institute of Chemistry University of Tartu Tartu 50411 Estonia

Institute of Environmental Medicine Karolinska Institute Stockholm 17177 Sweden

Institute of Legal Medicine and Core Facility Metabolomics Medical University of Innsbruck Innsbruck A 6020 Austria

International Agency for Research on Cancer World Health Organisation Lyon 69372 France

Laboratory of Analytical Chemistry Department of Chemistry National and Kapodistrian University of Athens Athens 15771 Greece

Luxembourg Centre for Systems Biomedicine University of Luxembourg Belvaux 4367 Luxembourg

Maastricht Centre for Systems Biology Maastricht University Maastricht 6229 EN The Netherlands

MetaboHUB French metabolomics infrastructure in Metabolomics and Fluxomics Toulouse France

National Center for Biotechnology Information National Library of Medicine National Institutes of Health Bethesda MD 20894 USA

National Technical University of Athens Athens 15780 Greece

RECETOX Faculty of Science Masaryk University Brno Czech Republic

Research group Bioinformatics and Scientific Data Leibniz Institute of Plant Biochemistry Halle 06120 Germany

Research Programme on Biomedical Informatics Department of Experimental and Health Sciences Pompeu Fabra University Barcelona 08003 Spain

Risk Analysis for Products In Development Netherlands Organisation for applied scientific research TNO Utrecht 3584 CB The Netherlands

School of Biosciences University of Birmingham UK Birmingham B15 2TT UK

School of Geography Earth and Environmental Sciences University of Birmingham UK Birmingham B15 2TT UK

School of Science GSFC University Gujarat 391750 India

Scientific Network Management SL Barcelona 08015 Spain

Seven Past Nine Cerknica 1380 Slovenia

Toxalim Université de Toulouse Toulouse France

Unit Health VITO Mol 2400 Belgium

Université de Paris Paris F 75006 France

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