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

NEW expert

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 ...




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 ” ...




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 ...


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.


plant protection products

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.


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ToxNavigation Ltd. is a company registered in England and Wales. Registered number: 11114004. Registered office: Mole View, 158 Bridge Road, East Molesey, Surrey, KT8 9HW.