Simply Predict integrates
the power of in silico modelling and QSAR training into CEHTRA’s 20+ years’ experience in regulatory consulting for
Human Health, Ecotoxicology and Environmental Risk Assessment.
Say Hello to AI-based Safety Assessment!
Applying Artificial Intelligence-based (Machine Learning) approaches, notably Quantitative Structure Activity Relationships (QSARs) & Read-across through a wide range of recognised tools, Simply Predict aims to promote in silico New Approach Methodologies (NAMs) to replace animal testing and provide cost and time-effective solutions to meet R&D needs and regulatory obligations of our clients, notably for REACH, Cosmetics, Pharmaceuticals, Medical Devices, Plant Protection and
Latest News & Upcoming Events!
CEHTRA is an associated partner within AiChemist MSC DN.
Check out the project homepage!
Check out our poster on in silico NAMs presented at SFT's annual meeting in Paris!
1st workshop on in silico NAMs in collaboration with Toxnavigation! In Paris on 22nd March, 2024
Never miss any of our updates!
Accompanied by the joint expertise of other modellers & regulatory experts at CEHTRA!
support: In silico
Toxicology & Cosmetics expert
Endocrine Disruption expert
Medical Devices expert
Plant Protection expert
Unlock the benefits of in silico models
Significantly saves you time,
costs and resources for all your
R&D requirements and
Growing use in the context of
New Approach Methodologies (NAMs),
Next Generation Risk Assessment (NGRA) and 3Rs (Replacement, Reduction and Refinement of animal testing)
Accepted by regulatory authorities, notably for REACH & Cosmetics
dossier submissions and ICH M7
guideline for Pharmaceuticals
QSAR & Read-across predictions
Simply Predict applies a battery of recognized QSARs and Read-across tools to predict a wide range of Physicochemical, Human Health, Environmental and Ecotoxicological properties. If you intend to use predicted results to fulfill regulatory obligations, our regulatory experts can help with required documentation.
Dissociation constant (pKa)
Octanol-water partition coefficient (Log Kow)
Human Health properties
Acute dermal toxicity
Acute oral toxicity
Acute inhalation toxicity
Endocrine Disruption (EATS)
Repeated dose toxicity
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)
The complete list of models we apply is long and verifies between endpoints.
Here are some examples of well-known models we apply on a regular basis!
Check out if your substances of interest
can be predicted reliably with Simply Predict!
QSAR training courses adapted to your needs
QSAR & Read-across training for toxicologists
Learn how to apply in silico toxicology models, generate reports and interpret reliability of the predicted results
Case studies covering multiple toxicological endpoints including Skin Sensitisation, Ames Mutagenicity etc.
Battery of multiple in silico models covered including OECD QSAR Toolbox, Toxtree, VEGA etc.
Case studies designed to cover mono-constitutents, impurities, mixtures and UVCBs
Learn how to use in silico results in regulatory submissions: QMRF & QPRF reports
Next training sessions will be defined soon
Why choose Simply Predict?
for a decisive strategy
Our QSAR experts identify and
run the most fit-for-purpose battery of models and our regulatory experts validate the strategy and conclusions.
100% non-conflicted and
We do not develop any in-house prediction models or tools or have any preferred list of models or developers to work with! We propose curated solutions from a wide pool of in silico models on a case by case basis.
All standard queries are assured a response within 2 working days.
Get in touch!
Send your query
If you prefer sending us an email,
you can write to us at:
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)
CEHTRA (Paris offices)
126 rue du Landy
93400 Saint-Ouen, France
Closest metro: Mairie de Saint-Ouen
(metro lines 13 & 14)