ProtoPRED is an intuitive and efficient computational platform to predict a wide range of properties of chemical compounds, including endpoints required by the main regulatory agencies, with models developed by ProtoQSAR


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, so the user can choose the model or models that better fit their needs:

Regulation-focused modules

ProtoPRED has two modules tailored to the fulfilling of regulations such as REACH (inforced in the EU by ECHA for the registration of most chemicals) and the ICH-M7 regulation (regarding the mutagenicity of impurities in pharmaceutical products).

REACH-related endpoints

Models by endpoint family

In these modules, a wide panel of QSAR models for organic chemical substances are distributed according to the classification of the endpoints on human-toxicity related endpoints, environmental endpoints, physico-chemical properties and ADME endpoints (related with pharmaco/toxico-kinetics).

ADME endpoints

Physicochemical endpoints

Toxicological endpoints

Ecotoxicological endpoints

Models for advanced materials

ProtoPRED has a module devoted to nanoQSAR models, i.e. QSAR models adapted to their use in nanomaterials, and particularly in inorganic nanomaterials.

For nanomaterials

Integrated Testing Strategy

An integrated test strategy is used to obtain a single conclusion from several studies. Our ITS does not only provide a computational prediction combining different models, but also allows you to include any available experimental data. In addition to the prediction, you will have a prediction of which parameters are going to be necessary for your case.

ITS for genotoxicity

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

SPEED

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

VERSATILITY

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

USER-FRIENDLY

Does not require a specific or technical knowledge to be used


REGULATORY VALIDITY

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

BEST VALUE FOR MONEY

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


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