Research made in KREATiS

In this section you will find relevant peer reviewed articles, exhibited congress posters and selected magazine articles featuring KREATiS employees and other open source publications that we think you may find useful. We have also made available information on research projects that we have worked on. All the posters are freely available as downloadable pdfs.

Hexagones

R&D projects

KREATiS is regularly involved in R&D projects to increase our understanding of the science and to propose solutions to regulatory challenges using a combination of experimental and in silico approaches. Below is a list of some major projects that we have been, are or hope to be involved in.

PharmERA

PharmERA

Assessment of prediction of the toxicity of pharmaceuticals in surface water and sediment model organisms, in collaboration with INRAE

Started September 2024
NC3Rs

Do-Q-ToR

Docking & QSAR for Thyroid Receptor

Started September 2022
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CHANCES2

Compartmentalised Hazard Assessment for NCS2

Started September 2020
CosmeBooste

CosmeBooste

Development of SafePAC to assess the risks for human health of the chemicals migrating from the packaging into the cosmetic product.

Duration: 3 years (2021-2024)
COSMETOX

COSMETOX

COSMetic products EcoTOXicity: study ecotoxicity and biodegradability of cosmetic products which are complex substances incorporating many ingredients.

Duration: 3 years (2021-2024)
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DAMIER

Développement et Applications des Modèles Informatiques pour REACH

Duration: 3 years (2014 - 2017)
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CRANCS

Compartmentalised Risk Assessment for Natural Complex Substances

Duration: 18 months (2015 - 2016)
Crack it NC3Rs

NC3Rs CRACK-IT QSARs Mix Challenge

Duration: 12 months(2015 - 2016)

See all KREATiS posters

A fully QAF-regulatory compliant model for Acute Oral Toxicity Assessment (AOrTA)

M. Darracq--Ghitalla-Ciock, E. Ay-Albrecht, C. Charmeau-Genevois

Poster presented by M. Darracq--Ghitalla-Ciock during the EUROTOX 2026 congress.

Predicting CLP classification for skin sensitisation using the CLASS model

G. Levet, E. Ay-Albrecht, M. Darracq--Ghitalla-Ciock, F.J. Bauer, P. Vidal, Z. Todorov, P.C. Thomas, C. Charmeau-Genevois

Poster presented by P.C. Thomas during the EUROTOX 2026 congress.

BioSINC project: Integrating Experimental and In Silico Approaches to Assess the Biodegradability of Complex Natural Substances – The Case of Essential Oils

C. Bringer-Guérin, P. Thomas, F. Larras, A. Maurya, G. Thouand, I. Vitte, A. Gonzalvo, S. Gimeno, K. Bonnot, P. Surcin

Poster presented by Paul Thomas during the SETAC Europe 2026 congress in Maastricht, on 21 May 2026.

Our last articles

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.

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.

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.

Our last other publications

(Q)SAR Model Reporting Format (QMRF) for iSafeRat® In Vitro Endocrine Modalities Prediction by SVM for thyroid receptors agonism/antagonism – iVEMPS - THR v1.0

QMRF of iVEMPS - THR v1.0 developped by KREATiS and released on 17 January 2025.

QSAR Model Reporting Format (QMRF) for iSafeRat® CLASS (Classification Labelling Assessment for Skin Sensitisation) model v1.4

QMRF of iSafeRat® CLASS v1.4 developped by KREATiS and released on 23 April 2025.

QSAR Model Reporting Format (QMRF) for iSafeRat® (High Accuracy)-QSAR for acute ecotoxicological endpoints –Version 2.6

QMRF of iSafeRat® (High Accuracy)-QSARs for acute ecotoxicological endpoints v2.6 developped by KREATiS and released on 16 June 2025.