In Silico Predictive Toxicology

  • In Silico Predictive Toxicology (INSPECT) provides you with a reliable, rapid, ethical and cost-effective way to assess the safety of chemical products.
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In Silico Predictive Toxicology

Advanced computational (in silico) modelling means that we can now rapidly derive reliable (eco)toxicological assessments without the need for testing on animals.

Regulations today allow scientifically valid QSAR models to be used to derive information on the intrinsic properties of chemical substances. That means they can be used to estimate the data required to comply with regulatory schemes for a range of applications, such as agrochemicals, cosmetics, human and animal medicines, food additives and industrial chemicals, including their metabolites and impurities.

  • Ethical alternative to chemical safety testing on animals
  • Computational methods provide reliable (eco)toxicological assessments
  • Provides data needed to meet regulatory requirements
  • Supports new product development activities

Fera's INSPECT service

QSAR models provide a statistically reliable extrapolation of the experimental data on a vast range of substances that have already been tested. Our method uses a ‘weight-of-evidence’ approach, based on a number of QSAR approaches, to enhance the reliability and regulatory acceptance of our toxicity predictions. We also provide quick screening to identify compounds likely to be of high concern at the early stages of product development.

Our Capabilities

INSPECT offers you rapid and reliable assessments of:

  • Mammalian toxicity, e.g. carcinogenicity, mutagenicity, reproductive toxicity, acute and chronic toxicity, skin irritation/sensitisation, endocrine activity.

  • Ecotoxicity, e.g. terrestrial and aquatic fish 96h LC50, daphnid 48h EC50, Bobwhite quail 8d LD50 (dietary toxicity, Bobwhite quail 14d LD50 (acute oral), honey bee 48h LD50 (acute contact), green algae 96h EC50, oestrogen receptor binding, bioconcentration factor (BCF).

  • Physicochemical properties, e.g. disassociation constant (pKa), soil organic carbon sorption coefficient (Koc), persistence, water solubility, octanol-water partition coefficient (Kow), Henry’s law constant, vapour pressure.

Fera is a listed consultant of Lhasa Ltd. U.K. and our team are experts offering services on predictive toxicology using their proprietary software Derek Nexus®. We also excel in the use and interpretation of OECD (Q)SAR Toolbox Application and a variety of other in-house and open source software. This means that we can use a combination or the most appropriate tools to better predict the potential toxicity of your chemicals.

For more information on our INSPECT service, then get in touch:

Feedback from our customers  

“We appreciate your ethics and the scientific justification with weight of evidence for the outcome of Derek Nexus® results.”

“We really appreciate you pulling out all the stops to carry out the study and produce the report at such short notice.”

Fera's Research Chemist, Jane Cotterill, is the science lead for INSPECT and responsible for the management of the team and delivering a high-quality service to a wide range of UK and overseas government and commercial clients.

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