KREATiS is a unique organisation offering you in silico ecotoxicology, mammalian toxicology and physical chemistry predictions to screen the hazards of your substance or to complete your regulatory dossiers or boost your R&D in the most time and cost efficient way possible using:

► Our home-grown, high accuracy QSAR models in the form of iSafeRat® Toolbox
► A comprehensive choice of third-party software to fill the remaining datagaps that iSafeRat® does not cover

The combination of these will help you to fill your datagaps with the best in silico study predictions available, meeting the 5 OECD principles for the validation of QSARs and regulatory format requirements for a host of dossier submissions and updates notably for REACH and CPSR, ICH M7, Medical devices, but increasingly for aspects of Plant Protection Products and Biocides.

And most recently, we have developed a unique set of tools to discern the potential, or lack of it, for organic chemicals to have Endocrine Disrupting properties.


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.



Validated High Accuracy QSARs to replace experimentation. read more

Research projects

International R&D projects, Proposal writing, Publications. read more

In silico consulting

Support with third-party tools for endpoints not covered by iSafeRat®. read more

Training support

Introduction to QSARs; OECD QSAR Toolbox; Third party models. read more

MechoA (Mechanisms of Action) is a decision tree based product designed and offered by KREATiS as freeware to help you predict the toxicity of organic chemicals. It uses 2D structural activities related to Molecular Initiating Events (MIE) to predict alerts. To use the freeware, create a free account in iSafeRat online by clicking on this link. To find out more about MechoAs and how they work, see below


Access our toolbox on