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Applicability of in silico tools for the prediction of dermal absorption of pesticides (Prediction of skin absorption)


This third-party funded project is conducted in the framework of the BfR research programme on modern methods in toxicology

EFSA grant number: OC/EFSA/PRAS/2016/02

Project homepage: -

Project description:

The overall objective of this project is to provide a critical appraisal of existing in silico tools for the prediction of dermal absorption of chemicals with respect to their practical applicability and potential regulatory implementation in the context of the assessment of plant protection products in the EU. In silico models will be reconstructed and predictions will be statistically evaluated against measured data. This analysis is based on publicly available information and additional data provided by EFSA, as well as the expertise and information available to the members of the consortium. Part of the database was  previously collected by BfR and submitted to EFSA (NP/EFSA/PRAS/2016/01). The analysis also covers in silico tools for mixtures as well as combinations of models. The output additionally includes recommendations for further activities and/or outline options for regulatory implementation of the methods.

BfR parts of the project:

The BfR is coordinator of the project and is involved in five of six work packages (WP):

WP0 Project management.

WP1 Review of existing in silico models developed to predict skin absorption: Provide a comprehensive and critical review of existing in silico models developed to predict skin absorption.

WP2 Compilation of data and model implementation: The objective of WP2 is to compile the required data and perform predictions with ten selected models for experiments in the EFSA dataset. The models will be selected based on the outcome of WP1 and, if possible, will include at least three models addressing mixtures. WP2 will be based on the EFSA dataset, containing data submitted by ECPA on 152 active substances tested in 762 different test preparations reflecting different products/formulations and dilutions thereof, as well as data submitted by BfR on 122 active substances tested in 480 different preparations on human skin in vitro. Thus, the maximum number of active substances to be covered in this project is 274 with 1242 test preparations, while the actual number will be lower due to duplicates.

WP4 Integration into the regulatory framework: To examine the possibilities to implement, in a regulatory context, in silico models for dermal absorption prediction for pesticides and to produce a list of recommended models.

WP5 Reporting.

Project partners:

  • TNO innovation for life, The Netherlands
  • BENAKI Phytopathological Institute, Greece
  • Durham University, UK
  • Danish Environmental Protection Agency, Denmark


External Links

Applicability of ‘in silico’ tools for the prediction of dermal absorption for pesticides


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