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Our services for cosmetics

  • (Q)SAR and read-across methods for regulatory submissions.

  • In silico methods for toxicological profiling.

  • Toxicity flags for prioritization of testing.

  • Safety/risk assessment.

Tools that we employ are:

  • Leadscope Model Applier

  • Lhasa (Derek and Sarah)

  • Other (VEGA/OECD QSAR Toolbox/T.E.S.T./Toxtree)

Endpoints that we predict include:

  • Carcinogenicity

  • Mutagenicity

  • Genotoxicity

  • Skin Sensitization

  • Acute Toxicity

  • Reproductive toxicity

  • Developmental toxicity

  • Neurotoxicity

  • Target organ toxicity (e.g., liver, urinary tract, lung, cardiac)

  • Other (e.g., environmental toxicity)

Training on in silico toxicology methods and their integration in a safety assessment process is provided.

In Silico Toxicology

  • In silico toxicology (also referred to as computational toxicology) aims at predicting toxicity generally from chemical structure.

  • In silico toxicology includes category formation (grouping) and read-across, Structure-Activity Relationship (SAR), Quantitative Structure-Activity Relationship (QSAR), and Expert Systems.

  • In silico toxicology methods play a crucial role to generating additional information for complementing and ultimately enhancing or supporting a risk assessment, including an understanding of the structural and/or mechanistic basis that may contribute ideas for the rational design of new chemicals, development of a testing strategy or an overall weight-of-evidence evaluation.


Myatt, G. et al. (2018). In silico toxicology protocols. Regul Toxicol Pharmacol, 96, 1-17.

Bassan A., Worth A. P. (2007). Computational Tools for Regulatory Needs. In: Ekins S. (eds) Risk Assessment For Pharmaceutical And Environmental Chemicals, , Wiley & Sons, Inc.

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