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.

ProtoPRED KEY FEATURES:

  • 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.

DESKTOP VERSION

REQUIREMENTS:

Minimal hardware requirements:

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

Environment requirements:

  • Windows 7 higher (MacOS and Linux versions are under development)
  • Visual C++ Redistributable package.
  • Can be downloaded here.Java. Can be downloaded here.

ON-LINE VERSION (coming soon)

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

Explore the available QSAR models:

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

Toxicity
Acute inhalation toxicity
Carcinogenicity
Chromosomal aberration
Developmental toxicity
Eye irritation
Genotoxicity (Micronucleus)
Mutagenicity (AMES)
Skin irritation
Skin sensitisation

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

Interested in mutagenicity prediction? Visit