ProtoREACH is a computational application for the prediction of physicochemical, toxicological and ecotoxicological properties of chemical compounds, by using proprietary QSAR models.

ProtoREACH is specially focused on REACH, a European Union regulation, adopted to improve the protection of human health and the environment from the risks that can be posed by chemicals, while enhancing the competitiveness of the EU chemicals industry. REACH also promotes alternative methods for the hazard assessment of substances in order to reduce the number of tests on animals. The requirements for registering a chemical substance are organized as annexes of the REACH regulation, Different annexes must be used depending on the substance mass produced or imported by each company.


  • Speed: predictions in a few seconds/minutes, even for large sets of molecules (about five minutes for a prediction of 10 properties in a dataset of 1000 molecules).
  • Versatility: different input formats can be provided as inputs.
  • Simplicity: no need of specific or technical knowledge to use the tool.
  • Regulatory validity: all models follow the OECD guidelines and are provided with their corresponding reports following the QSAR Model Reporting Format (QMRF), therefore guaranteeing their use for regulatory purposes.




Minimal hardware requirements:

  • 1 GHz 32-bit (x86) or 64-bit (x64) CPU
  • 1 GB of RAM
  • 128 MB of graphics memory


Environment requirements:




Interested in the prediction of a single group of properties? Try our ProtoREACH modules:

Explore the available QSAR models:

Boiling point
Log kow
Melting point
Self ignition point
Surface tension
Vapour pressure
Water solubility

Chromosomal aberration
Developmental toxicity
Eye irritation
Genotoxicity (Micronucleus)
Mutagenicity (AMES)
Skin irritation
Skin sensitisation

Bioconcentration factor
Fish acute toxicity
Persistence in sediment
Persistence in soil
Persistence in water
Ready biodegradability
Sludge inhibition



Interested in mutagenicity prediction? Visit