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In Silico Predictive Toxicology (INSPECT)

In Silico Predictive Toxicology (INSPECT)

In silico predictive toxicology and ecotoxicology services providing an alternative to chemical safety testing in animals.

Chemical safety assessment by in silico methods

INSPECT provides a reliable, rapid, ethical and cost effective alternative to chemical safety testing in animals. Our approach uses a weight-of-evidence based on a number of in silico approaches, including models based on Quantitative Structure Activity Relationship - (Q)SAR, Read-across from existing data on the basis of structural and mechanistic similarity, and Expert systems that are based on rules derived from structure-activity relationship, to enhance reliability and regulatory acceptance of toxicity predictions. We also provide quick screening to identify compounds likely to be of high concern at early stages of development.

Our team comprises Computational Chemists, Toxicologists, Ecotoxicologists and Environmental Scientists and excels in the development and use of in silico tools to derive (eco) toxicological assessments required under chemical safety legislation. Fera Scientists are listed Consultants of Lhasa Ltd UK for offering services on in silico assessment of toxicity of chemical compounds using their proprietary software Derek Nexus®. We also excel in the use of OECD (Q)SAR Toolkit in read-across assessments. Our aim is to identify any substances of concern (CMR, PBT, vPvB or other substances of similar concern) at an early stage of product development.

INSPECT offers you rapid turn-around 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

Meeting your Data Needs

The use of in silico methods allows for the estimation of necessary data to help comply with regulatory schemes for a range of applications, such as agrochemicals, cosmetics, human and animal medicines, food additives and industrial chemicals under REACH, including their impurities, metabolites and degradation products.

Recent advances in computational (in silico) modelling have made it possible to rapidly derive reliable (eco)toxicological assessments without the need for testing on animals. Regulations allow the use of scientifically valid in silico models to derive information on intrinsic properties of chemical substances by means other than experimental studies. Such models provide a statistically reliable extrapolation of the experimental data on a vast range of substances that have already been tested.

INSPECT can help fill your information/ data gaps by searching for existing experimental data in our extensive databases, and/or providing assessment of toxicity by (Q)SAR and Read-across approaches. Our services for REACH registration are focussed on a weight of evidence approach using predictions from a suite of (Q)SAR models supplemented, where possible, with mechanistic reasoning and expert judgement.


Contact Us - INSPECT

T: +44 (0)1904 462 368

E: inspect@fera.co.uk

Chemical Brochure

Download the latest brochure here Chemical brochure

  • Forefront of regulatory exposure modelling
  • Unparalleled experience in environmental modelling & risk assessment
  • Close working relationships with EU Member State Competent Authorities, EFSA, DWI & CRD