is a computational application for the prediction of physicochemical,
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.
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.
Minimal hardware requirements:
- 1 GHz 32-bit (x86) or 64-bit (x64) CPU
- 1 GB of RAM
- 128 MB of graphics memory
- 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: Go to the FREE protophyschem TRIAL
Interested in the prediction of a single group of properties? Try our ProtoREACH modules:
Explore the available QSAR models:
Self ignition point
Acute inhalation toxicity
Fish acute toxicity
Persistence in sediment
Persistence in soil
Persistence in water
Interested in mutagenicity prediction? Visit