ProtoPRED is a computational platform allowing the easy, fast and user-friendly prediction of different properties of chemical compounds, including regulatory endpoints and others, such as:

  • Physico-chemical properties
  • Pharmacokinetics properties (ADME)
  • Human toxicity
  • Ecotoxicity

ProtoPRED uses proprietary QSAR (Quantitative Structure-Activity Relationships) models. These models are widely applied in different sectors, such as cosmetics, pharmaceutics and chemicals, to predict a broad-spectrum of properties of industrial and regulatory interest.

Our wide library of proprietary models are grouped in different modules, based on the type of property. User can select the model(s) that best match their requirements.

REACH-related endpoints

ADME endpoints

Physicochemical endpoints

Toxicological endpoints

Ecotoxicological endpoints

For nanomaterials

ITS for genotoxicity

ProtoPRED is the one of the best tools in the market, thanks to its unique set of features:


Predictions in a few seconds/minutes, even for large sets of molecules


You can use different input formats (.xls(x), .csv, .txt, .cas, .smi, .mol and .sdf)


Does not require a specific or technical knowledge to be used


All models follow the OECD guidelines and are provided in the standard QSAR Model Reporting Format (QMRF), therefore guaranteeing their regulatory validity


Save time and money with the highest level computational models in the market

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