What do we do?

Pure in silico R&D company specialising in predictions for Human health and environment, replacing experimentation with confidence

Why do we exist?

To understand the mechanistic interactions between chemical and biological matrices and thence to quantify the impact on human health and the environment


KREATiS aims to produce High Accuracy QSARs (or HA-QSARs), that is models that are as accurate as experimental studies (generally experimental studies are reproducible within a factor of 2). To do this we use a number of novel methodologies including our “holistic validation approach” and “cascade approach”. We’ve also set up our own version of Good Modelling Practice (GMoP) within our company.

We have a multidisciplinary team of qualified experts in organic chemistry, ecotoxicology, mammalian toxicology, drug design and software development with decades of regulatory (eco)toxicology experience and we like to interact with and support our clients personally to make sure you get the best outcome for your needs.

Finally, we don’t release models as HA-QSARs unless we can be sure they meet the OECD 5 principles of QSAR modelling; KREATiS is gaining recognition with Regulatory Authorities across the world, and one of our homegrown models, iSafeRat® MechoA profiler, has been implemented in several platforms, including the OECD QSAR Toolbox.


KREATiS is a unique, private Research & Development organisation (an in silico Contract Research Organisation), founded in January 2014.

All of us share a common dream: Our desire to understand the mechanistic interactions between chemical and biological matrices and thence to quantify the impact on human health and the environment.

This is melded into one goal: to provide the most accurate study predictions for physicochemical, ecotoxicological and toxicological study results for organic molecules from in silico models. The results are designed for regulatory submissions in the field of chemicals, cosmetics, biocides, pesticides and pharmaceuticals.

This powers a separate goal and added benefit to minimise testing on animals.

In order to offer an alternative to experimentation, we use our home-grown toolbox, iSafeRat®, which is a 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 Team is working tirelessly on increasing the performance and scope of iSafeRat® and hunting down and validating the very best third-party software.

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


With over 75 years of combined experience in mammalian toxicology, ecotoxicology, regulatory risk assessment, applied chemistry and biochemistry, drug design and software development, our team comprises a unique skillset which has allowed us to create first class models for your regulatory submissions and also to evaluate the best third-party software for in silico consulting



President, Model Developer and Expert Ecotoxicologist




Managing Director and Expert Toxicologist




QSAR Model Developer and Ecotoxicologist



Franklin BAUER, PhD

QSAR Model Developer and Chemist



Zlatomir TODOROV, PhD

Computational chemist




Software developer




Junior Ecotoxicologist



The vision of KREATiS is:

► To understand the mechanistic interactions between chemical and biological matrices and thence to quantify the impact of chemicals on human health and the environment;

► To make this knowledge available to our clients and to the regulatory and scientific community;

► 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 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) and other in silico models;

► 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.


► Why KREATiS ?

► Our business model

► What added value to you ?

► iSafeRat® High Accuracy QSAR services

► iSafeRat® MechoA

► OECD QSAR Toolbox and other third party tools

The Beginning

Dr Paul Thomas, takes 3 minutes to explain how KREATiS began.

In 2014, while working as an eco-toxicologist for CEHTRA, Dr. Paul Thomas, decided to set up a company dedicated to high accuracy QSAR's. Known as KREATiS he explains in under 3 minutes why he saw the need for such a company dedicated to high accuracy QSAR's?

KREATiS presentation - BFM Business

Take just 5 minutes to watch Dr. Carole Charmeau interviewed by Fanny Berthon, from French television programme, BFM Business, dedicated to showcasing SME’s. The interview is in French with subtitles

Interviewed by BFM Business in the programme Hebdo PME, the Director, Dr. Carole Charmeau Genevois presents KREATiS, an SME in the Auvergne Rhône Alpes region specialising in in-silico predictions of the intrinsic properties of chemical substances, which are alternative methods that avoid experimentation on animals.