Ontology-driven and artificial intelligence-based repeated dose toxicity testing of chemicals for next generation risk assessment

Risultati finali

Report on existing in vitro assays to detect MIEs and KEs in the qAOP networks on liver steatosis and cholestasis
Report on existing in vitro assays to detect MIEs and KEs in the qAOP networks on tubular necrosis and crystallopathy
Report on the definition of and contact with target audiences

Project website

Pubblicazioni

Safer chemicals using less animals: kick-off of the European ONTOX project

Autori: Mathieu Vinken, Emilio Benfenati, François Busquet, José Castell, Djork-Arné Clevert, Theo M. de Kok, Hubert Dirven, Ellen Fritsche, Liesbet Geris, Rafael Gozalbes, Thomas Hartung, Danyel Jennen, Ramiro Jover, Helena Kandarova, Nynke Kramer, Cyrille Krul, Thomas Luechtefeld, Rosalinde Masereeuw, Erwin Roggen, Stephan Schaller, Tamara Vanhaecke, Chihae Yang, Aldert H. Piersma
Pubblicato in: Toxicology, Numero 458, 2021, Pagina/e 152846, ISSN 0300-483X
Editore: Elsevier BV
DOI: 10.1016/j.tox.2021.152846

Unsupervised Representation Learning for Proteochemometric Modeling

Autori: Kim, Paul T., Robin Winter, and Djork-Arné Clevert
Pubblicato in: International Journal of Molecular Sciences, 2021, ISSN 1422-0067
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms222312882

Scientific validation of human Neurosphere Assays for Developmental Neurotoxicity evaluation

Autori: Koch K, Bartmann K, Hartmann J, Kapr J, Klose J, Kuchovská E, Pahl M, Schlüppmann K, Zühr E and Fritsche E
Pubblicato in: The Frontiers in toxicology/Section Neurotoxicology, Numero 4/816370, 2022, Pagina/e 1-26, ISSN 2673-3080
Editore: Frontiers Media S.A.
DOI: 10.3389/ftox.2022.816370

Optimization of an adverse outcome pathway network on chemical-induced cholestasis using an artificial intelligence-assisted data collection and confidence level quantification approach

Autori: Jonas van Ertvelde, Anouk Verhoeven, Amy Maerten, Axelle Cooreman, Bruna dos Santos Rodrigues, Julen Sanz-Serrano, Milos Mihajlovic, Ignacio Tripodi, Marc Teunis, Ramiro Jover, Thomas Luechtefeld, Tamara Vanhaecke, Jian Jiang, Mathieu Vinken
Pubblicato in: Journal of Biomedical Informatics, Numero Volume 145, September 2023, 2023, Pagina/e 104465, ISSN 1532-0464
Editore: Academic Press
DOI: 10.1016/j.jbi.2023.104465

Natural language processing in toxicology: Delineating adverse outcome pathways and guiding the application of new approach methodologies

Autori: Marie Corradi, Alyanne de Haan, Bernard Staumont, Aldert Piersma, Liesbet Geris, Raymond Pieters, Cyrille Krul, Marc Teunis
Pubblicato in: Biosystems and Biomaterials, Numero 26665344, 2022, ISSN 2666-5344
Editore: Elsevier BV
DOI: 10.1016/j.bbiosy.2022.100061

https://www.altex.org/index.php/altex/article/view/2692

Autori: Thomas Hartung
Pubblicato in: ALTEX, Numero 4/yr, 2023, Pagina/e 559-570, ISSN 1868-8551
Editore: Springer Spektrum
DOI: 10.14573/altex.2309191

A call for a Human Exposome Project.

Autori: Thomas Hartung
Pubblicato in: ALTEX, Numero 4/yr, 2023, Pagina/e 4–33, ISSN 1868-8551
Editore: Springer Spektrum
DOI: 10.14573/altex.2301061

Img2Mol – accurate SMILES recognition from molecular graphical depictions

Autori: Djork-Arné Clevert, Tuan Le, Robin Winter, Floriane Montanari
Pubblicato in: Chemical Science, Numero 12/42, 2021, Pagina/e 14174-14181, ISSN 2041-6520
Editore: Royal Society of Chemistry
DOI: 10.1039/d1sc01839f

Report of the First ONTOX Stakeholder Network Meeting: Digging Under the Surface of ONTOX Together With the Stakeholders

Autori: Michael Diemar, Mathieu Vinken, Marc Teunis, Cyrille Krul, François Busquet, Julia Dominika Zajac, Helena Kandarova, Raffaella Corvi, Matteo Z. Russo, Anastasiia Kharina, Louise Bryndum, Michael Santillo, Denise Bloch, Olena Kucheryavenko, Demosthenes Panagiotakos, Vera Rogiers, Manon Beekhuijzen, Arianna Giusti, Abdulkarim Najjar, Carol CourageShow lessTorben Koenig, Susanne Kolle, Harrie Boonen
Pubblicato in: ATLA, Numero Jan, 2024, 2024, ISSN 0261-1929
Editore: Fund for the Replacement of Animals in Medical Experiments
DOI: 10.1177/02611929231225730

Monte Carlo Models for Sub-Chronic Repeated-Dose Toxicity: Systemic and Organ-Specific Toxicity

Autori: Gianluca Selvestrel, Giovanna J. Lavado, Alla P. Toropova, Andrey A. Toropov, Domenico Gadaleta, Marco Marzo, Diego Baderna and Emilio Benfenati
Pubblicato in: International Journal of Molecular Sciences, Numero 14220067, 2022, Pagina/e 6615, ISSN 1422-0067
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms23126615

Using in silico tools to predict flame retardant metabolites for more informative exposomics-based approaches

Autori: Breanne Kincaid , Przemyslaw Piechota, Emily Golden, Mikhail Maertens, Thomas Hartung, and Alexandra Maertens
Pubblicato in: Frontier in Artificial Intelligence, Numero 6/yr, 2023, Pagina/e 1-16, ISSN 0922-6389
Editore: IOS Press
DOI: 10.3389/ftox.2023.1216802

Mitochondria as the Target of Hepatotoxicity and Drug-Induced Liver Injury: Molecular Mechanisms and Detection Methods

Autori: Mihajlović M and Vinken M
Pubblicato in: International Journal of Molecular Sciences, Numero 23(6), 3315, 2022, Pagina/e 1-37, ISSN 1422-0067
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms23063315

In Vitro Liver Toxicity Testing of Chemicals: A Pragmatic Approach

Autori: Andrés Tabernilla, Bruna dos Santos Rodrigues, Alanah Pieters, Anne Caufriez, Kaat Leroy, Raf Van Campenhout, Axelle Cooreman, Ana Rita Gomes, Emma Arnesdotter, Eva Gijbels, Mathieu Vinken
Pubblicato in: International Journal of Molecular Sciences, Numero 22/9, 2021, Pagina/e 5038, ISSN 1422-0067
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms22095038

Unraveling the mechanisms underlying drug-induced cholestatic liver injury: identifying key genes using machine learning techniques on human on in vitro data sets.

Autori: Jian Jiang, Jonas van Ertvelde, Gökhan Ertaylan, Ralf Peeters, Danyel Jennen, Theo M. de Kok, Mathieu Vinken
Pubblicato in: Archives of Toxicology, Numero volume 91, 2023, 2023, Pagina/e 2969-2981, ISSN 1432-0738
Editore: Springer
DOI: 10.1007/s00204-023-03583-4

Metabolomics in Preclinical Drug Safety Assessment: Current Status and Future Trends

Autori: Fenna Sillé, Thomas Hartung
Pubblicato in: Metabolites, Numero 14(2), 98, 2024, ISSN 2218-1989
Editore: MDPI
DOI: 10.3390/metabo14020098

Alternative methods go green! Green toxicology as a sustainable approach for assessing chemical safety and designing safer chemicals

Autori: Alexandra Maertens, Thomas Luechtefeld, Jean Knight, Thomas Hartung
Pubblicato in: ALTEX, Numero Vol. 41 No. 1, 2024, ISSN 1868-8551
Editore: Springer International Publishing AG
DOI: 10.14573/altex.2312291

AI as the New Frontier in Chemical Risk Assessment

Autori: Thomas Hartung
Pubblicato in: Frontiers in Artificial Intelligence, 2023, Pagina/e 1-4, ISSN 0922-6389
Editore: IOS Press
DOI: 10.3389/frai.2023.1269932

4.2 million and counting… The animal toll for REACH systemic toxicity studies

Autori: Jean Knight, Thomas Hartung, Costanza Rovida
Pubblicato in: ALTEX, Numero 4/yr, 2023, Pagina/e 389-407, ISSN 1868-8551
Editore: Springer Spektrum
DOI: 10.14573/altex.2303201

Replacement of animal testing by integrated approaches to testingand assessment (IATA): a call for in vivitrosi

Autori: Caloni F, De Angelis I, Hartung T
Pubblicato in: Archives of Toxicology, Numero 96, 2022, Pagina/e 1935–1950, ISSN 0340-5761
Editore: Springer Verlag
DOI: 10.1007/s00204-022-03299-x

Prediction of the Neurotoxic Potential of Chemicals Based on Modelling of Molecular Initiating Events Upstream of the Adverse Outcome Pathways of (Developmental) Neurotoxicity

Autori: Domenico Gadaleta, Nicoleta Spînu, Alessandra Roncaglioni, Mark T. D. Cronin, Emilio Benfenati
Pubblicato in: International Journal of Molecular Sciences, Numero 14220067, 2022, Pagina/e 3053, ISSN 1422-0067
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms23063053

The effects of hexabromocyclododecane on the transcriptome and hepatic enzyme activity in three human HepaRG-based models

Autori: Susana Proença, Nick van Sabben, Juliette Legler, Jorke H. Kamstra, Nynke I. Kramer
Pubblicato in: Toxicology, Numero Volume 485, February 2023, 153411, 2023, ISSN 0300-483X
Editore: Elsevier BV
DOI: 10.1016/j.tox.2022.153411

G × E interactions as a basis for toxicological uncertainty

Autori: Ilinca Suciu, David Pamies, Roberta Peruzzo, Petra H. Wirtz, Lena Smirnova, Giorgia Pallocca, Christof Hauck, Mark T. D. Cronin, Jan G. Hengstler, Thomas Brunner, Thomas Hartung, Ivano Amelio, and Marcel Leist
Pubblicato in: Archives of Toxicology, 2023, Pagina/e 2035–2049, ISSN 0340-5761
Editore: Springer Verlag
DOI: 10.1007/s00204-023-03500-9

Artificial intelligence (AI)—it’s the end of the tox as we know it (and I feel fine)

Autori: Nicole Kleinstreuer, Thomas Hartung
Pubblicato in: Archives of Toxicology, Numero Vol 98, 2024, Pagina/e 735–754, ISSN 0340-5761
Editore: Springer Verlag
DOI: 10.1007/s00204-023-03666-2

Predicting the Mitochondrial Toxicity of Small Molecules: Insights from Mechanistic Assays and Cell Painting Data

Autori: Marina Garcia de Lomana, Paula Andrea Marin Zapata, and Floriane Montanari
Pubblicato in: Chemical Research in Toxicology, Numero Volume 36, issue 7, 2023, Pagina/e 1107–1120, ISSN 0893-228X
Editore: American Chemical Society
DOI: 10.1021/acs.chemrestox.3c00086

REACH out-numbered! The future of REACH and animal numbers

Autori: Costanza Rovida, Francois Busquet, Marcel Leist, Thomas Hartung
Pubblicato in: ALTEX, Numero 4/yr, 2023, Pagina/e 367-388, ISSN 1868-8551
Editore: Springer Spektrum
DOI: 10.14573/altex.2307121

https://altex.org/index.php/altex/article/view/2696

Autori: Anna-Katharina Holzer, Nadine Dreser, Giorgia Pallocca, Aswin Mangerich, Glyn Stacey, Michele Dipalo, Bob van de Water, Costanza Rovida, Petra H. Wirtz, Barbara van Vugt, Giulia Panzarella, Thomas Hartung, Andrea Terron, Iris Mangas, Matthias Herzler, Philip Marx-Stoelting, Sandra Coecke, Marcel Leist
Pubblicato in: ALTEX, Numero 4/yr, 2023, Pagina/e 706–712, ISSN 1868-8551
Editore: Springer Spektrum
DOI: 10.14573/altex.2310021

Connexin-Based Channel Activity Is Not Specifically Altered by Hepatocarcinogenic Chemicals

Autori: Kaat Leroy, Alanah Pieters, Axelle Cooreman, Raf Van Campenhout, Bruno Cogliati, Mathieu Vinken
Pubblicato in: International Journal of Molecular Sciences, Numero 22/21, 2021, Pagina/e 11724, ISSN 1422-0067
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms222111724

The Good, The Bad, and The Perplexing: Structural Alerts and Read-Across for Predicting Skin Sensitization Using Human Data

Autori: Emily Golden, Daniel C. Ukaegbu, Peter Ranslow, Robert H. Brown, Thomas Hartung, and Alexandra Maertens
Pubblicato in: Chemical Research in Toxicology, 2023, Pagina/e 734 - 746, ISSN 0893-228X
Editore: American Chemical Society
DOI: 10.1021/acs.chemrestox.2c00383

A systematic review of in vitro models of drug-induced kidney injury

Autori: Alasdair R. Irvine, Damiën van Berlo, Rawan Shekhani, Rosalinde Masereeuw
Pubblicato in: Current Opinion in Toxicology, Numero 27, 2021, Pagina/e 18-26, ISSN 2468-2020
Editore: Elsevier
DOI: 10.1016/j.cotox.2021.06.001

The probable future of toxicology - probabilistic risk assessment

Autori: Alexandra Maertens, Eric Antignac, Emilio Benfenati, Denise Bloch, Ellen Fritsche, Sebastian Hoffmann, Joanna Jaworska, George Loizou, Kevin McNally, Przemyslaw Piechota, Erwin L. Roggen, Marc Teunis, Thomas Hartung
Pubblicato in: ALTEX, Numero N/A, 2024, Pagina/e N/A, ISSN 1868-8551
Editore: Springer International Publishing AG
DOI: 10.14573/altex.2310301

Primary Human Hepatocyte Spheroids as Tools to Study the Hepatotoxic Potential of Non-Pharmaceutical Chemicals

Autori: Vânia Vilas-Boas, Eva Gijbels, Kaat Leroy, Alanah Pieters, Audrey Baze, Céline Parmentier, Mathieu Vinken
Pubblicato in: International Journal of Molecular Sciences, Numero 22/20, 2021, Pagina/e 11005, ISSN 1422-0067
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms222011005

Development of an adverse outcome pathway network for nephrotoxicity

Autori: D A Barnes, J W Firman, S J Belfield, M T D Cronin, M Vinken, M J Janssen, R Masereeuw
Pubblicato in: Archives of Toxicology, Numero Volume 98, 2024, Pagina/e 929-942, ISSN 0340-5761
Editore: Springer Verlag
DOI: 10.1007/s00204-023-03637-7

First steps for creating an ontology for cognitivefunction defects for regulatory application

Autori: Eliska Kuchovska, Alessio Gamba, Luiz Carlos Maia Ladeira, Bernard Staumont, Raphaëlle Lesage, Inger-Lise Steffensen, Graciela Lopez Soop
Pubblicato in: 21st International Congress ESTIV Abstract Book, Numero annual, 2022, Pagina/e 48-49, ISBN 978-80-969474-8-5
Editore: ESTIV

P04-06 New approaches for evaluating kidney toxicity using physiological maps

Autori: Alessio Gamba, Luiz Carlos Maia Ladeira, Raphaëlle Lesage, Devon Barnes, Daniël Roodzant, Marc Teunis, Manoe Janssen, Rosalinde Masereeuw, Liesbet Geris, Bernard Staumont
Pubblicato in: Toxicology Letters, Numero Volume 368, Supplement, 1 September 2022, 2022, Pagina/e S101, ISSN 0378-4274
Editore: ELSEVIER BV
DOI: 10.1016/j.toxlet.2022.07.290

Physiological Map to Study Kidney Toxicity in the ONTOX Project.

Autori: Alessio Gamba, Luiz Carlos Maia Ladeira, Raphaëlle Lesage, Daniël Roodzant, Devon Barnes, Manoe Janssen, Marc Teunis, Rosalinde Masereeuw, Liesbet Geris, Bernard Staumont
Pubblicato in: 21st International Congress ESTIV Abstract Book, Numero annual, 2022, Pagina/e 120-121, ISBN 978-80-969474-8-5
Editore: ESTIV

Development of an Adverse Outcome Pathway for Kidney Tubular Necrosis

Autori: Devon Barnes, Alasdair Irvine, Alessio Gamba, Luiz Carlos Maia Ladeira, Bernard Staumont, Huan Yang, Inger-Lise Steffensen, Liesbet Geris, Manoe Janssen, and Rosalinde Masereeuw
Pubblicato in: 21st International Congress ESTIV Abstract Book, Numero annual, 2022, Pagina/e 186-187, ISBN 978-80-969474-8-5
Editore: ESTIV

Protocol for a systematic scoping review

Autori: Trine Husøy, Michael Guy Diemar, Erwin Roggen, Maria Kalyva, Hubert Dirven, Gunn Elisabeth Vist
Pubblicato in: Methods and tools for assessing chemical exposure in humans: protocol for a systematic scoping review - prosjektbeskrivelse, 2021
Editore: NIPH

P17-07 Computational modelling of neural tube closure defects

Autori: Job H Berkhout, Aldert H Piersma, Juliette Legler, Harm J Heusinkveld
Pubblicato in: Toxicology letters, Numero Volume 368, Supplement, 1 September 2022, 2022, Pagina/e S229, ISSN 0378-4274
Editore: ELSEVIER BV
DOI: 10.1016/j.toxlet.2022.07.617

P01-07 Development of an adverse outcome pathway for kidney tubular necrosis

Autori: Devon Barnes, A. Irvine, Alessio Gamba, Bernard Staumont, Luiz C Maia Ladeira, Huan Yang, Inger-Lise Stffensen, Liesbet Geris, Manoe Janssen, Roos Masereeuw
Pubblicato in: Toxicology Letters, Numero Volume 368, Supplement, 1 September 2022, 2022, Pagina/e S86-S87, ISSN 0378-4274
Editore: ELSEVIER BV
DOI: 10.1016/j.toxlet.2022.07.251

Designing Physiological Maps as a Tool to Study Liver Toxicology

Autori: Luiz Carlos Maia Ladeira, Alessio Gamba, Raphaëlle Lesage, Anouk Verhoeven, Jonas van Ertvelde, Jian Jiang, Daniël Roodzant, Marc Teunis, Ramiro Jover, Tamara Vanhaecke, Mathieu Vinken, Harm Heusinkveld, Liesbet Geris, Bernard Staumont.
Pubblicato in: 21st International Congress ESTIV Abstract Book, Numero annual, 2022, Pagina/e 123-124, ISBN 978-80-969474-8-5
Editore: ESTIV

Computational Modelling of Neural Tube Closure Defects

Autori: Job Berkhout, Aldert Piersma, Juliette Legler, Alessio Gamba, Luiz Carlos Maia Ladeira, Bernard Staumont, Raphaëlle Lesage, Liesbet Geris, and Harm Heuseinkveld
Pubblicato in: 21st International Congress ESTIV Abstract Book, Numero annual, 2022, Pagina/e 127, ISBN 978-80-969474-8-5
Editore: ESTIV

P11-09 Physiology-based framework to study chemical-induced cholestasis

Autori: Luiz Carlos Maia Ladeira, Alessio Gamba, Raphaëlle Lesage, Jonas van Ertvelde, Jian Jiang, Anouk Verhoeven, Daniël Roodzant, Marc Teunis, Ramiro Jover, Tamara Vanhaecke, Mathieu Vinken, Liesbet Geris, Bernard Staumont
Pubblicato in: Toxicology Letters, Numero Volume 368, Supplement, 1 September 2022, 2022, Pagina/e S165-S166, ISSN 0378-4274
Editore: ELSEVIER BV
DOI: 10.1016/j.toxlet.2022.07.459

SOC-VI-08 Physiological maps: a benchmark tool for adverse outcome pathways and a cornerstone for the development of disease ontologies

Autori: Bernard Staumont, Luiz Carlos Maia Ladeira, Alessio Gamba, Raphaëlle Lesage, Anouk Verhoeven, Jian Jiang, Jonas van Ertvelde, Devon Barnes, Manoe Janssen, Eliska Kuchovska, Job Berkhout, Daniël Roodzant, Marc Teunis, Thomas Bozada Jr, Thomas Luechtefeld, Ramiro Jover, Tamara Vanhaecke, Mathieu Vinken, Rosalinde Masereeuw, Ellen Fritsche, Aldert Piersma, Harm Heusinkveld, Liesbet Geris
Pubblicato in: Toxicology Letters, Numero Volume 368, Supplement, 1 September 2022, 2022, Pagina/e S77-S78, ISSN 0378-4274
Editore: ELSEVIER BV
DOI: 10.1016/j.toxlet.2022.07.228

Multi-task Proteochemometric Modelling

Autori: Anastasia Pentina, and Djork-Arné Clevert
Pubblicato in: ChemRxiv, Numero 25732293, 2022, ISSN 2573-2293
Editore: Cambridge Open Engage
DOI: 10.26434/chemrxiv-2022-d5tzd

Probabilistic Risk Assessment –The Keystone for the Future of Toxicology

Autori: Maertens A, Golden E, Luechtefeld T, Hoffmann S, Tsaioun K
Pubblicato in: Altex- Alternatives to animal experimentation, Numero 39/1, 2022, Pagina/e 3–29, ISSN 1868-8551
Editore: Springer-Spektrum
DOI: 10.14573/altex.2201081

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