QSAR for REACH & ICH M7
ProtoPRED® has three modules designed to support compliance with regulations such as REACH (implemented under the EU REACH regulatory framework).
REACH-related endpoints
Prediction of physicochemical and (eco)toxicological properties of chemical compounds by using proprietary QSAR models.
MORE INFOMutagenicity
Prediction of the mutagenicity of chemical compounds through the combined use of a QSAR model and a rule-based expert system.
MORE INFOITS for genotoxicity
Genotoxicity assessment of chemicals following the regulatory workflow proposed under REACH.
MORE INFOQSAR 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, environmental, physico-chemical, endocrine disruptors or ADME.
Toxicological endpoints
Prediction of toxicological properties of chemical compounds by using proprietary QSAR models.
MORE INFOEcotoxicological endpoints
Prediction of ecotoxicological properties of chemical compounds by using proprietary QSAR models.
MORE INFOADME endpoints
Prediction of pharmacokinetics properties of chemical compounds by 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 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 primarily using curated public data. It is designed to support chemical assessment workflows with a balance of scientific robustness, usability and operational flexibility.
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.
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.
ProtoPRED® works as an online platform, but we also offer API access and Docker deployment with full access for companies that want to integrate it into their existing workflows.
Key advantages of ProtoPRED® in QSAR-based predictions
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 OECD guidelines and include a standard QMRF free of charge, guaranteeing their regulatory validity
BEST VALUE FOR MONEY
Save time and money with the highest-level computational models
How to use ProtoPRED®?
Learn how to upload your compounds, make predictions, check the applicability domain and analyse results for physicochemical, toxicological, ecotoxicological and ADME endpoints.
Flexible token-based pricing
Estimate your prediction costs instantly. ProtoPRED® uses tokens, the quantity of tokens each prediction uses depends on the endpoint.
Base rate: €25/token
Volume discounts available: from €20/token for 50 tokens to €10/token for 1000 tokens.Enter the number of predictions for each module
ProtoREACH
Includes models from these three modules:
ProtoPHYSCHEM
ProtoTOX
ProtoECO
ProtoICH
ProtoED
ProtoADME
GenoITS
ProtoNANO
Tokens and cost summary
Tokens
ProtoPHYSCHEM
0
ProtoTOX
0
ProtoECO
0
ProtoICH
0
ProtoED
0
ProtoADME
0
GenoITS
0
ProtoNANO
0
Total tokens
0
Total predictions
0
€0
/ €0 * tokenWe offer annual licenses, which are more cost-effective from approximately 250 predictions per year.
We also offer special discounts for universities and research centers.
Contact us
Some of the entities using ProtoPRED®
