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:
Focus on the regulatory application: ProtoICH and ProtoREACH
Classified by the type of property: ProtoPHYSCHEM, ProtoTOX, ProtoECO and ProtoADME
Models for nanomaterials: ProtoNANO
Combined genotoxicity predictions involving different QSAR models and/or external data: GenoITS
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).
Mutagenicity
MORE INFO
ACCESS
REACH-related endpoints
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
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
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
© 2024 Copyright ProtoQSAR S.L. All rights reserved.