Articles

In this section you will find relevant peer reviewed articles and selected magazine articles featuring KREATiS employees and other open source publications that we think you may find useful.

Advancing understanding of the interactions between pharmaceuticals, microbial contaminants, and microbial communities: perspectives for European environmental risk assessment

Stéphane Pesce, Edward Topp, Pierre Benoit, Natàlia Corcoll, Benoit Cournoyer, Nicolas Creusot, Benoit J.D. Ferrari, Federico Ferrari, Wessam Galia, Helena Guasch, Dimitrios G. Karpouzas, Alexandra Kroll, Floriane Larras, Luigi Lucini, Laure Mamy, Christelle Margoum, Eugenia Martí, Fabrice Martin-Laurent, Nicolas Mazzella, Alexandra Meziti, Cécile Miège, Soizic Morin, Victoria Osorio, Sandra Pérez, Lorenzo Proia, Mechthild Schmitt-Jansen, Paul Thomas, Sotirios Vasileiadis, Chloé Bonnineau (2026) Journal of Hazardous Materials Advances, 24, 101694
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A new high-accuracy QSAR model based on ultra-curated data for predicting thyroid receptor-related endocrine activity

Ay-Albrecht E, Todorov Z, Bauer FJ, Darracq-Ghitalla-Ciock M, Charmeau-Genevois C, Sarang SS and Thomas PC (2026) Front. Toxicol. 8:1852502.
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MechoA+: A Chemical Structure Profiler Raising the Bar for the Prediction of Mechanisms of Toxic Action for Chemical Safety Assessment

Gaspard LEVET, Franklin J. BAUER, Paul C. THOMAS, Mark T. D. CRONIN, Jayne ROBERTS, Steve GUTSELL, Bruno CAMPOS, Geoff HODGES, James FIRMAN (2026). Environ. Sci. Technol. (2026) 60 (24): 17124–17135.
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Characterising Ecotoxicological effects of a resinoid natural complex substance using experimental and in silico approaches

 Paul Thomas, Floriane Larras, Pascal Bicherel, Marine Canton, Marina Thierry, Nicolas Delpit, Lise Mata, Aurelia Lapczynski, Sylvain Antoniotti
Environmental Toxicology and Chemistry, vgaf268 (2025)
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Chemical Profiling of Volatile and Non-Volatile Fractions of Galbanum (Ferula galbaniflua Boiss.) Used in Perfumery

Marine Canton, Marina Thierry, Floriane Larras, Pascal Bicherel, Lise Mata, Nicolas Delpit, Aurelia Lapczynski, Paul Thomas, Sylvain Antoniotti. Chemistry & Biodiversity 22, no. 12 (2025): e01442.
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Green Swans countering chemical pollution

Leo Posthuma, Michelle Bloor: Writing, Bruno Campos, Ksenia Groh, Annegaaike Leopold, Hans Sanderson, Hanna Schreiber, Christoph Schür, Paul Thomas. 
Integrated Environmental Assessment and Management 2024 — Volume 20, Number 3—pp. 888–893. 
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A scheme to evaluate structural alerts to predict toxicity – Assessing confidence by characterising uncertainties

Mark T.D. Cronin, Franklin J. Bauer, Mark Bonnell, Bruno Campos, David J. Ebbrell, James W. Firman, Steve Gutsell, Geoff Hodges, Grace Patlewicz, Maria Sapounidou, Nicoleta Spînu, Paul C. Thomas, Andrew P. Worth (2022). Regulatory Toxicology and Pharmacology, S0273-2300(22)00136-2. 
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A simplified scoring method to quantify the irritating potential and corrosion of chemicals – Part II: Eye irritation/corrosion.

Carole CHARMEAU-GENEVOIS, Satinder SARANG, Mélissa PEREA, Nathalie MAYER, Charles EADSFORTH, Tom AUSTIN, Paul THOMAS (2021)
Accepted by Regulatory Toxicology & Pharmacology, Volume 123, July 2021, 104935
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A simplified scoring method to quantify the irritating potential and corrosion of chemicals – Part I: Skin irritation/corrosion.

Carole CHARMEAU-GENEVOIS, Satinder SARANG, Mélissa PEREA, Charles EADSFORTH, Tom AUSTIN, Paul THOMAS (2021)
Accepted by Regulatory Toxicology & Pharmacology, Volume 123, July 2021, 104922
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Aquatic Toxicity Calculation of Mixtures: A Chemical Activity Approach Incorporating a Bioavailability Reduction Concept

Pascal Bicherel, Paul Thomas (2021). Environ. Sci. Technol. 55 (16), 11183-11191).
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Application of the Activity Framework for Assessing Aquatic Ecotoxicology Data for Organic Chemicals.

Paul Thomas, James Dawick, Mark Lampi, Philippe Lemaire, Shaun Presow, Roger van Egmond, Jon A. Arnot, Donald Mackay, Philipp Mayer, and Malyka Galay Burgos (2015) Environmental Science & Technology , Volume 49, 20, 12289–12296
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How in silico and QSAR approaches can increase confidence in environmental hazard and risk assessment.

Paul Thomas, Pascal Bicherel, Franklin Bauer (2018). Integrated Environmental Assessment and Management 15, 1, 40–50
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High-accuracy prediction of Mechanisms of Action using structural alerts.

Franklin Bauer, Paul Thomas, Samuel Fouchard, Neunlist Serge (2018) Computational Toxicology, Volume 7, Pages 36-45
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A New classification algorithm based on Mechanisms of Action.

Franklin Bauer, Paul Thomas, Samuel Fouchard, Neunlist Serge (2017) Computational toxicology. Volume 5, Pages 8-15
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Alternative Approaches to Vertebrate Ecotoxicity Tests in the 21st Century: A Review of Developments Over the Last 2 Decades and current status

Adam Lillicrap, Scott Belanger, Natalie Burden, David Du Pasquier, Michelle R. Embry, Marlies Halder, Mark A. Lampi, Lucy Lee, Teresa Norberg-King, Barnett A. Rattner, Kristin Schirmer, Paul Thomas (2016). Environmental Toxicology and Chemistry, Vol. 35, No. 11, November
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Involved in in the workgroup “Mechanistic and other relevant data” of IARC Monographs on the evaluation of carcinogenic risk

C. Genevois-Charmeau et al. (1999) *Vol. 71, Re-evaluation of some organic chemicals, hydrazine and hydrogen peroxide, *Vol. 72, Hormonal contraception and post-menopausal hormonal therapy, *Vol. 73, Some chemicals that cause kidney or urinary bladder tumours in rodents, and some other substances (published in Toxicological Sciences, Vol. 49, p.166-171, 1999) *Vol. 74, Surgical implants and other foreign bodies.
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Construction of an In Silico Structural Profiling Tool Facilitating Mechanistically Grounded Classification of Aquatic Toxicants

James W. Firman,* David J. Ebbrell, Franklin J. Bauer, Maria Sapounidou, Geoff Hodges, Bruno Campos, Jayne Roberts, Steve Gutsell, Paul C. Thomas, Mark Bonnell, and Mark T. D. Cronin. Environ. Sci. Technol. 2022, 56, 24, 17805–17814
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Limitations and Uncertainties of Acute Fish Toxicity Assessments Can Be Reduced Using Alternative Methods

Martin Paparella, Stefan Scholz, Scott Belanger, Thomas Braunbeck, Pascal Bicherel, Kristin Connors, Christopher Faßbender, Marlies Halder, Adam Lillicrap, Roman Liska, Kristin Schirmer, Gilly Stoddart, Paul Thomas, Susanne Walter-Rohde (2020).
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Chairman of the workgroup "Activity-Based Relationships for Aquatic Ecotoxicology Data: Use of the Activity Approach to Strengthen MoA Predictions”

Paul THOMAS et al. (2014) Technical Report no.120
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