KREATiS - Research & Development of in silico models for REACH
Kreatis replacing experimentation for reach - REACH alternative laboratory testing
Kreatis - an alternative to experimentation for REACH - REACH alternative experimentation

About Us

KREATiS - Company - QSAR REACH alternative
based close to Lyon


KREATiS is a privately funded Research & Development organisation (similar to a laboratory CRO) based close to Lyon, providing studies from in silico models for regulatory purposes for clients in the field of chemicals, cosmetics, biocides, pesticides and pharmaceuticals. The emphasis is placed on the production of highly accurate predictions for physicochemical, ecotoxicological and toxicological study results for organic molecules. In order to offer an alternative to experimentation, we use a home-grown toolbox, iSafeRat®, which is the compilation of numerous High-Accuracy Quantitative Structure-Activity Relationship models (HA-QSAR). We also master a whole range of existing software comprising both freeware and commercial models and have developed a strong understanding of the value of each model, its applicability domain and its limitations.

The company is majority owned by legal persons but 49% is owned by an operational-holding company called 2Rcube. For both companies the President is Dr Paul THOMAS ERT and the Managing Director is Dr Carole CHARMEAU-GENEVOIS ERT.


President, Model Developer and Expert Ecotoxicologist


Paul THOMAS has a PhD in aquatic ecotoxicology and more than 20 years' experience with industrial chemicals, agrochemicals and biocides gained at CIT (where he set up the ecotoxicology service and was study director for 4 years), ATOFINA (now ARKEMA) where he practiced ecotoxicology and Risk Assessment for existing substances and AkzoNobel where he was head of department, head of the ecotoxicology GLP and research laboratories and organiser of REACH services for the company. He joined CEHTRA in 2008 as director of CEHTRA Lyon specialising in REACH-related services and is manager of the CEHTRA ecotoxicology team. He has contributed strongly to numerous successful registrations out of the >300 substances that CEHTRA has registered since 2010 and has been working in the area of predictive ecotoxicology since this time. In 2013, while retaining all his roles in CEHTRA, Paul was nominated CEO of KREATiS, a start-up company specialising in the creation of high accuracy QSARs to replace experimentation for REACH.



Managing Director and Expert Toxicologist


Carole CHARMEAU holds a PhD in Toxicology and is qualified as a European Registered Toxicologist (ERT). She has 20 years of experience with industrial chemicals and agrochemicals gained at IARC and then in industry and consulting. She joined CEHTRA in 2008 as a senior toxicologist to strengthen the REACH team at Lyon, providing strategy to assess the hazard of chemicals for human health using alternative methods such as read-across and weight of evidence approach. Carole is also specialised in the derivation of Derived No Effect Levels (DNEL) for the human. She developped the IFRA consumer exposure scenarios guidance (2011) and was involved in ECHA’s project for the consumer risk assessment developing scenarios in ConsExpo to be imported in CHESAR. Since 2016, Carole has participated in human health R&D projects at KREATiS, a daughter company of CEHTRA created in 2014 and specialised in the development of High Accuracy In-Silico models to predict regulatory experimental endpoints such as skin/eye irritation potential or skin sensitisation potential of chemicals. In January 2018, Carole joined KREATiS as Managing Director of the company where she continues to provide expert toxicology advice for both CEHTRA and KREATiS.



QSAR Model Developer and Chemist


Melanie DELANNOY obtained her Master’s degree in Chemistry from the Universidad Central de Venezuela (UCV) in 2006, during this time she showed interest in organic chemistry and molecular modelling. At the UCV she worked for two years as research project manager during which she gained knowledge in phytochemistry and anti-inflammatory bioactivity. In July 2012, she obtained her PhD in Organic Chemistry from the Université de Bordeaux during which she gained knowledge in organic synthesis, biophysics, protein-ligand interactions and cellular biology. Later on, she was a post-doctoral researcher for one year at the École Supérieure de Physique et de Chimie Industrielles de la Ville de Paris (ESPCI Paris tech) were she re-enforced her knowledge in organic reactivity. Recently she created a smartphone application to perform the synthesis of famous organic molecules. She joined KREATiS in November 2017 and is working on the development of new models to replace experimentation for human health endpoints.



QSAR Model Developer and Ecotoxicologist


Pascal BICHEREL has obtained his Master’s degree in environmental sciences from Graduate School of Life Sciences of Toulouse in 2013. During his academic studies he gained skills in  molecular and cell biology and organic chemistry. As a part of his first internship at INRA (National Institute of Agronomic Research) in Versailles-Grignon, he studied the impact of a pesticide exposure on earthworms. During the second year of his Master’s degree, he carried out his internship at CEHTRA to develop predictive models for the acute aquatic toxicity of mixtures. In October 2013, he joined CEHTRA, then its subsidiary, KREATiS as its first employee. Currently, he is using his expertise in designing new in silico models of High Accuracy-QSAR (HA-QSARs) at KREATiS in order to replace experimentation for REACH.


Franklin BAUER, PHD

QSAR Model Developer and Chemist


Franklin BAUER obtained his Master’s and Engineer’s degree in organic, bioorganic and therapeutic chemistry from  National Graduate School of Chemistry of Mulhouse (ENSCMu) in 2014. During his studies, he gained a strong knowledge of organic chemistry and also learned molecular modelling, software programming and chemical analysis methods. Between december 2014 and december 2017, he did a PhD fellowship in collaboration with KREATiS and University of Haute-Alsace, thanks to a "CIFRE", a funding from French government. This PhD focussed on a better characerisation of mecanisms of toxic action based on the molecular structure. Since then, Franklin is working at KREATiS on QSAR models and software development.



3D Modeller


Molecular modeling and cheminformatics engineer

Zlatomir has an interdisciplinary training in biology and informatics starting with a diploma in life science from the University of Lyon in 2011 followed by a Bachelor’s degree at the University of Perpignan and a Master’s degree at the University of Montpellier in 2014 specializing in bioinformatics. He obtained a PhD in Structural biology and Nanobiology in 2019 from the University of Grenoble on an ambitious molecular modeling project. During this period, he studied the molecular function of mammalian Kir3 channels using high-throughput molecular dynamics simulations, related computational techniques and wet-lab experiments.

Zlatomir joined the KREATiS team in mid-2019 to manage the in-situ 3D molecular modeling capabilities of the company especially in its Endocrine Disruption project. The department aims at providing our clients with prediction services for quantified characterization of the interactions between small molecules and selected biological targets. Currently available or in the pipeline: de-novo and homology modeling, molecular docking, molecular dynamics simulations and computation of the free energies of interaction in molecular complexes.



Software developer


Antoine is a student in his 4th year in UTBM (Université de Technologie Belfort-Montbéliard) informatics engineer school, specialising in software development. He's been working with KREATiS since mid-2017. He is one of the main contributors behind the development of KREATiS' tools iSafeRat® Online and iSafeRat® Desktop.

KREATiS - Vision - QSAR REACH alternative

The vision of KREATiS is:

  • to concentrate on 2 of the 3Rs: Replace or Reduce as much as scientifically justifiable, regulatory experimental studies on vertebrate animals.
  • to supersede studies principally by use of high accuracy, in Silico algorithms for prediction of physico-chemical, ecotoxicological and toxicological properties of chemicals at a fraction of the price of the laboratory equivalent.
KREATiS - Mission - QSAR REACH alternative

KREATiS aims to inspire confidence in the precision of calculated Physico-chemical, ecotoxicological and toxicological properties and to replace experimentation by:

  • Combining the available quality experimental data with sophisticated modelling algorithms to develop High Accuracy QSARs (HA-QSARs).
  • Implementing state-of-the-science approaches to address a well-defined Applicability Domain as well as to demonstrate the robustness and predictive ability of our models following the five OECD principles of model validation.
  • Providing convincing evidence of the validity of HA-QSARs to Regulatory Authorities with the intention of reducing the need for experimentation. Implementing the most appropriate and sophisticated algorithms and statistical analyses based on high quality and validated datasets.
  • Preparing study reports supported by the appropriate documents for regulatory acceptance (e.g. QMRFs and QPRFs, for regulatory submissions).
  • Ensuring that the cost to the client is always lower than the experimental equivalent and in proportion with the research effort required to achieve it.
KREATiS - Money back guarantee - QSAR REACH alternative
Money back guarantee

At KREATiS we have faith in our models and we want you to as well. For this reason, KREATiS offers a money back guarantee on all of its products. In order to benefit from this offer the following must be met:

  1. A full GLP study result must differ by greater than the specified precision factor of the model provided in the report*
  2. The client must request reimbursement for the study in writing and specify the study report number.

*The study must be conducted following best practice and be monitored by KREATiS or a KREATiS referenced scientist or partner

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KREATiS, Knowledge & research in environment and toxicology in silico

Knowledge & research in environment and toxicology in silico