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Home Centre for Chemical Safety & Stewardship Ecotoxicology


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In Silico Predictive Toxicology (INSPECT)

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

Chemical assessment by in silico methods

INSPECT provides a reliable, rapid, ethical and cost effective alternative to chemical safety testing in animals. Our approach involves a 'read-across' from existing data on the basis of structural similarity, and/or assessment by models based on quantitative structure-activity relationship - QSAR. We also use various 'Expert Systems' that are based on rules derived from structure-activity relationship, or incorporate several individual (Q)SAR models.

Our team comprises Computational Chemists, Toxicologists, Ecotoxicologists, Environmental Scientists and Exposure Modellers 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
  • 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
  • Environmental Exposure Modelling

Please view the following pages for information on: