In silico (QSAR) consulting and training solutions that fast-track innovation and compliance
Leveraging two decades of CEHTRA’s regulatory expertise, we deliver cutting-edge in silico toxicology and QSAR training solutions to support Human Health, Ecotoxicology, and Environmental Risk Assessment.
Animal-Free Safety Assessment
We deliver expert-driven predictions using advanced in silico New Approach Methodologies (NAMs), notably QSAR models & Read-across to help you meet global regulatory requirements efficiently and ethically.
REACH-compliant in silico predictions, supported by comprehensive documentation (QMRF, QPRF, and QAF)
In silico risk assessment for cosmetics (CPSR), to support safe ingredient selection and regulatory compliance
Mutagenicity assessment of impurities for ICH M7 compliance, using expert rule-based and statistical QSAR models
Read-across (Bridging) and in silico predictions to address data gaps for regulatory submissions.
Toxicological profiling of active substances and co-formulants in crop protection products and agrochemicals
In silico evaluation targeting EATS modalities (Estrogen, Androgen, Thyroid, and Steroidogenic receptors)
In silico predictions to support the risk assessment of food and feed substances, including novel proteins and peptides
In silico toxicology assessment (including CMR endpoints) of cosmetic packaging and food contact materials
In silico toxicological assessment of medical devices based on structural alerts and QSAR modeling
Unlock the full potential of in silico models
Your shortcut to smarter submissions
A smart way to save time, cut costs, and streamline resources for your R&D and regulatory needs.
Driving the Future of Non-Animal Testing
Increasingly used in the context of New Approach Methodologies (NAMs), Next Generation Risk Assessment (NGRA), and the 3Rs principles (Replacement, Reduction, and Refinement of animal testing).
Compliant by Design
Recognized by regulatory authorities, including for dossier submissions to ECHA, EFSA, as well as in the context of ICH M7 for pharmaceuticals and cosmetic regulations.
A team of trusted in silico experts
Faizan SAHIGARA
QSAR expert & Business Developer
Khadija ZERDALI
in silico expert and senior toxicologist
Stephane PIERRE
Regulatory Advisor
Supported by the combined expertise of CEHTRA’s in silico consultants and regulatory specialists:
Maurine DUPLAA
Toxicology
Clarisse BAVOUX
Cosmetics
Nathalie HANON
Biocides
Emmanuelle BISCEGLIA
Toxicology
Julien LEGHAIT
Endocrine Disruption
Marie LIAMIN
Food Products
Léa AROKIASSAMY
Toxicology
Mathieu ROLLAND
Chemicals (REACH)
Sophie SIMAR
Pharmaceuticals
Brigitte CASENAVE
Chemistry
Pierre-Yves JOYEUX
Medical Devices
Estelle BELTRAN
Plant Protection
QSAR & Read-across predictions
Simply Predict applies a battery of recognized QSAR models and Read-Across tools to predict a broad range of physicochemical, human health, environmental, and ecotoxicological properties.
If you plan to use these predictions to support regulatory submissions, our experts can assist with the preparation of all required documentation.
Physicochemical properties
-
Density
-
Dissociation constant (pKa)
-
Flash point
-
Hydrolysis
-
Melting point
-
Boiling point
-
Octanol-water partition coefficient (Log Kow)
-
Vapour pressure
-
Viscosity
-
Water solubility
Human Health properties
-
Acute dermal toxicity
-
Acute oral toxicity
-
Acute inhalation toxicity
-
Carcinogenicity
-
Dermal absorption
-
Developmental toxicity
-
Endocrine Disruption (EATS)
-
Eye irritation/corrosion
-
Genotoxicity
-
Mutagenicity
-
Repeated dose toxicity
-
Reproductive toxicity
-
Skin irritation/corrosion
-
Skin sensitisation
Ecotoxicological properties
-
Acute toxicity to Fish
-
Long-term toxicity to Fish
-
Short-term toxicity to Daphnia
-
Long-term toxicity to Daphnia
-
Short-term toxicity to Algae
-
Endocrine Disruption (EATS)
Environmental properties
-
Bioaccumulation (BAF)
-
Bioconcentratiion (BCF)
-
Ready Biodegradability
The full list of models we use is extensive and varies depending on the endpoint.
Below are some examples of well-established models we regularly apply:
Curious if your substances can be reliably predicted?
QSAR training adapted to your needs
Simply Predict, a CEHTRA service, benefits from the Qualiopi certification as its training courses are delivered under CEHTRA’s certified training organization
QSAR & Read-across
training for toxicologists
-
Learn how to apply in silico toxicology models, generate reports, and assess the reliability of predicted results.
-
Hands-on case studies covering multiple toxicological endpoints, including skin sensitisation, Ames mutagenicity, and more.
-
A comprehensive overview of widely used in silico tools such as OECD QSAR Toolbox, Toxtree, VEGA, and others.
-
Case studies include mono-constituents, impurities, mixtures, and UVCBs.
-
Guidance on integrating in silico results into regulatory submissions, including QMRF and QPRF report preparation.
Bespoke QSAR & Read-across training for companies
-
Focused on What Matters to You
-
Flexible coverage of physicochemical, toxicological, and ecotoxicological endpoints.
-
Selection of in silico models and case studies tailored to your specific needs.
-
Available as on-site or virtual training in English, French, and Italian.
-
Dates, duration, and number of participants can be fully customized to suit your requirements.
Interested in our training courses? Speak with our experts today!
In collaboration with ToxNavigation, we offer access to their popular eLearning courses on justifying and reporting in silico assessments to a wide range of different regulators. Tutor support is provided along with 12 month access to the course material. The courses have optional subtitles in French, Spanish, German, Italian and English.
The courses are recognized by EUROTOX for Continued Professional Development for accredited ERT toxicologist.
-
Background to build a justifiable read-across and use of (Q)SAR for both screening and regulatory purposes
-
Introduction and demonstrations of a wide variety of free software resources
-
26 hours + exams and home assignments
-
In silico assessment of potential mutagenicity under regulatory guidelines (e.g. ICH M7) delivered as a live video lecture
-
Assessing discordant predictions between statistical and mechanistic models
-
Handling nitrosamines
-
Practical demonstrations and guides on how to use the modules in the OECD QSAR Toolbox
-
Conducting a read-across with the Toolbox
-
Reporting
-
22 hours + exams and home assignments
Please contact Simply Predict for a special discounted access.
Why choose Simply Predict?
Combined expertise
for a decisive strategy
Our QSAR specialists select and apply the most fit-for-purpose battery of models, while our regulatory experts validate the overall strategy and ensure the conclusions are compliant and robust.
100% non-conflicted and
unbiased solutions
We do not develop in-house prediction models, nor do we promote a preferred list of tools or developers. Instead, we curate the most suitable in silico models from a broad range of available solutions—tailored case by case to best meet your needs.
Timely Support
You Can Rely On
We strive to respond to all standard inquiries within 2 business days.
Latest announcements
3-6 June, 2025
Faizan Sahigara attended the 21st International workshop on QSAR in Environmental and Health Sciences in Milan, Italy
16-20 March, 2025
Faizan Sahigara and Stephane PIERRE attended the 2025 SOT Annual Meeting and ToxExpo in Orlando, USA
16-17 October, 2024
Faizan Sahigara attended the Ecetoc workshop on integrating AI into chemical safety assessment in Sophia Antipolis, France
Never miss any of our updates!
Follow us on
Get in touch!
Send your query
Email us
Click here to send your query.
We are just a call away!
You can reach us at:
+33 (0)6 10 66 47 14
Mon-Fri: 9:00 - 18:00
(except bank holidays)
Our address
CEHTRA (Paris offices)
126 rue du Landy
93400 Saint-Ouen, France
Closest metro: Mairie de Saint-Ouen
(metro lines 13 & 14)
