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).
Mutagenicity
Prediction of the mutagenicity of chemical compounds through the combined use of a QSAR model and a rule-based expert system.
MORE INFOREACH-related endpoints
Prediction of physicochemical and (eco)toxicological properties of chemical compounds by using proprietary QSAR models.
MORE INFOModels 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, endocrine disruptors or ADME endpoints (related with pharmaco/toxico-kinetics).
ADME endpoints
Prediction of ADME properties of chemical compounds by using proprietary QSAR models.
MORE INFOPhysicochemical endpoints
Prediction of physicochemical properties of chemical compounds by using proprietary QSAR models.
MORE INFOEndocrine disruption endpoints
ProtoED is a computational tool for predicting the agonist and antagonist activity of chemical compounds on various receptors using proprietary QSAR models.
MORE INFOModels 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.
Models for nanomaterials
Prediction of physicochemical and (eco)toxicological properties of nanomaterials by using proprietary QSAR models.
MORE INFOIntegrated Testing Strategy
An Integrated Testing Strategy (ITS) 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 general assessment, the individual prediction of the necessary parameters will be also supplied.
ITS for genotoxicity
Regulatory workflow proposed under REACH for assessing the genotoxicity of chemicals.
MORE INFOQSAR-based in silico technology for secure, flexible and regulatory-oriented chemical assessment
ProtoPRED® is an in silico prediction platform based on QSAR models developed from curated public data. It is designed to support chemical assessment workflows with a balance of scientific robustness, usability and operational flexibility.
Its modules cover physicochemical, toxicological, ecotoxicological, endocrine-related, mutagenicity and ADME endpoints, supporting both research and regulatory decision-making.
The platform enables users to generate predictions across multiple endpoint families, verify the applicability domain (AD) of the queried substances and export results in formats adapted to different technical and regulatory needs.
All models are developed in accordance with OECD principles and are documented with QMRF (free access) and QPRF reports to support transparency, traceability and regulatory acceptance.
Key advantages of ProtoPRED® in QSAR-based prediction
USER-FRIENDLY
Does not require a specific or technical knowledge to be used
SPEED
Predictions in a few seconds/minutes, even for large sets of molecules
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
How to use ProtoPRED?
Learn how to upload your compounds, configure prediction settings, check the applicability domain and analyse results for physicochemical, toxicological, ecotoxicological and ADME endpoints.
Flexible token-based pricing
ProtoPRED® operates through a token-based system. Different prediction types may consume different numbers of tokens depending on the endpoint and workflow. Choose the package that best fits your expected usage volume.
Base price 1 token – 25€Calculate your cost based on the number of predictions you need
ProtoPHYSCHEM
ProtoADME
ProtoTOX
ProtoECO
ProtoED
ProtoICH
GenoITS
ProtoNANO
Tokens and cost summary
Tokens
ProtoPHYSCHEM
0
ProtoADME
0
ProtoTOX
0
ProtoECO
0
ProtoED
0
ProtoICH
0
GenoITS
0
ProtoNANO
0
Total tokens
0
Total predictions
0
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