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consultancy in computational toxicology

Computational / in silico toxicology is a rapidly developing discipline. If you are looking to incorporate data generated in silico into your safety, hazard or risk assessment, you can choose one of our options.


  • 25 years of experience with in silico  modelling

  • Multiple relevant models are used to increase confidence in the derived toxicity estimates

  • Expert selection of tools and methods in agreement with the official guidelines

  • In silico results complementary to in vitro results


  • Free feasibility study

  • In silico methods - lower cost compared to in vitro methods

  • Rapid access to several free and commercial tools

  • Service tailored to your needs (e.g. internal decision making or safety evaluation)


  • Feasibility study typically delivered in two days

  • Study report typically delivered within two weeks

  • 24 hour reactivity to client questions



advice service

Expert advice service for in silico toxicology

Computational toxicology is a rapidly developing discipline increasingly being adopted and encouraged by regulators. It offers lower cost and time compared to in vitro and in vivo methods

Keeping up to date is resources and time consuming ...


Cosmetic Products



In Silico Data for Hazard and Safety Assessment 
of Cosmetic Ingredients

Animal testing for the safety assessment of cosmetic ingredients and products has been completely banned in the EU. Consequently the safety assessment of cosmetics requires new methods ...


Prescription Medication

extractables & 


In silico assessment of mutagenicity for E&L and medical devices

Computational toxicology is applied to predict skin sensitisation and  bacterial
in vitro reverse mutagenicity (Ames test) using a combination of rules-based SAR, statistical QSAR and an expert judgement.



(Q)SAR and
read-across service

(Q)SAR and read-across service

ToxNavigation is specialised in the application of QSAR and read-across for internal and regulatory purposes. Choosing the best analogues, assessing uncertainty, building a case using weight of evidence, applying the best QSAR models and assembling a report with justifications are all part of this comprehensive service.


Checking the Crops

plant protection

Non-testing methods for Dietary Risk Assessment of Plant Protection Products and their Residues

The Guidance on the establishment of the residue definition for dietary risk assessment adopted by EFSA in 2016  describes a stepwise approach based on toxicological, metabolism and non-testing data ((Q)SAR, read-across and TTC ) ...



drug impurities


In silico assessment of mutagenicity for drug impurities under ICH M7

Computational toxicology is applied to predict bacterial in vitro reverse mutagenicity (Ames test) under the ICH M7 regulations using a combination of rules-based SAR, statistical QSAR and an expert judgement.



disruption service

Endocrine disruption screening service

Screening for endocrine disruptors early in your development cycle can save you considerable costs. The service provides a cost effective QSAR screen applying 153 different models covering 18 receptors to your compound, mixture or UVCB.  An expert analysis is provided along with a detailed report.


Science Lab



Alternatives to testing on animals for the REACH Regulation
(Q)SAR, grouping and read-acros

ECHA says “… We want to encourage registrants to use alternative methods in the best possible way ... The registrants should consider their registration dossiers as “living documents” and regularly update them ” ...


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