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

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. Regulatory Toxicology and Pharmacology, S0273-2300(22)00136-2. 

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).

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

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

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).

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

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

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

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

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

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

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.