ProtoPRED uses its own QSAR (Quantitative Structure-Activity Relationships) models, widely applied in sectors such as cosmetics, pharmaceuticals and chemicals. This tool allows the prediction of a wide spectrum of properties of industrial and regulatory interest, ensuring the obtaining of valid documents in accordance with regulations such as REACH and ICH. With ProtoPRED, companies can efficiently comply with current regulations and optimize their registration processes
Computational toxicology: fast, economical and ethical
We are a computational chemistry company, specialized in the development and optimization of active compounds in diverse areas, like pharmacy, cosmetic or functional food. Our computer models are also an efficient alternative that allows the replacement of animal tests for compliance with regulatory standards such as the REACH regulation of the European Union.
- Regulatory validity
- Limitation of animal testing (3Rs)
- Saving of material and financial resources
- Fast results
Regulatory validity
We help to comply with European directives for the registration and labeling of compounds (REACH, CLP, cosmetics, phytosanitary, etc.) and standards such as those set out in the ICH guidelines on impurities of pharmaceutical products.
European legislation not only authorizes computational techniques as valid legal alternatives, but also encourages and stimulates them by the undoubted advantages they represent.
Limitation of
animal testing (3Rs)
These tests must be performed only as a last resort, when no other scientifically reliable ways to demonstrate the impact of chemicals on humans and/or the ecosystem are available.
Saving of material
and financial resources
The use of our models allows the avoidance of personal and laboratory costs associated with experimentation.
Fast results
Our methods reduce the time needed with in vitro and in vivo tests, thanks to its easy and immediate applicability to thousands of chemical structures, something impossible to perform experimentally.
Our staff is characterized by its high academic profile and extensive scientific background. The technical team of ProtoQSAR is formed by specialists in different areas (pharmacy, chemistry, toxicology and ecotoxicology …) with extensive experience in both academic and industrial fields.
We have more than 100 publications in national and international scientific journals, eight chapters in specialized books and more than 80 participations and presentations in technical congresses.
With the support of
Frequently asked questions
What services does ProtoQSAR offer?
ProtoQSAR is a company specialized in QSAR models and in silico toxicological predictions for regulatory support (REACH, CLP, ICH, K-REACH, etc.). We offer customized studies (QSAR, SAR, read-across, compound prioritization, etc.) and ProtoPRED®, our molecular prediction platform featuring more than 60 models covering toxicity, physicochemical properties, ecotoxicity, and ADME.
We work with companies in the pharmaceutical, chemical, cosmetic, agrochemical sectors, as well as regulatory consultancies. We also provide practical training courses in QSAR and regulatory frameworks.
How long does it take to obtain results?
With ProtoPRED®, predictions are generated instantly. For tailor-made studies, timelines depend on the number of compounds and the scope of the study and typically range from a few weeks up to approximately two months. Upon completion, we deliver reports ready for submission to regulatory authorities (QPRF).
What software does ProtoQSAR use to develop its models?
We use proprietary QSAR models integrated into ProtoPRED, our molecular prediction platform with more than 60 models for toxicity, physicochemical properties, ecotoxicity, and ADME.
For customized studies, we may also use third-party tools such as QSAR Toolbox and VEGA when no equivalent internal model is available in ProtoPRED, ensuring regulatory acceptability.
Are ProtoQSAR QSAR models accepted under REACH, CLP, ICH, or other regulations?
Yes. Our models follow OECD principles and are documented with QMRF and QPRF for each prediction, facilitating regulatory acceptance and reducing the need for experimental testing.
In addition, we have examples of regulatory acceptance of our models by different authorities.
Does ProtoQSAR participate in collaborative projects?
Yes. We collaborate in European consortia (HORIZON, IHI, etc.), national programs (Torres Quevedo, NANOTECH), and regional calls (IVACE, AVI, etc.).
At ProtoQSAR, together with Moldrug and ProtoQSAR Italy (our associated companies), we are actively seeking industrial and academic partners.
Do you have a proposal? Contact us at bd@protoqsar.com.
How much does a ProtoPRED prediction or a customized study cost?
ProtoPRED® operates on a token-based system with volume discounts: the more tokens you purchase, the lower the cost per prediction. We also offer annual licenses for teams that use the platform intensively; the license becomes cost-effective from approximately 200 predictions per year.
For customized studies, pricing depends on the number of compounds, the endpoints involved, and the level of regulatory documentation required.
→ Request ProtoPRED pricing options / Request a quote for a customized study
Do you provide scientific support and regulatory guidance?
Yes. In addition to generating QSAR models and predictions, we provide scientific and regulatory support, including in silico strategy design, validation and interpretation of results, and preparation/review of QMRF and QPRF so that predictions comply with OECD guidelines and/or applicable legal frameworks, meeting regulatory authority requirements.
Our regulatory team will be pleased to assist you. Contact us at regulatory@protoqsar.com.
How are confidentiality and data protection managed?
In ProtoPRED®, privacy and data protection are built into your account. From the user page (Reports data), you can activate Data Privacy to irreversibly delete all prediction results, retaining only the model used and the date.
We also offer the possibility of signing an NDA (Non-Disclosure Agreement) to ensure information security, privacy compliance, and data protection.
Contact us and our team will advise you on everything you need
We are here to help you. Do not hesitate to contact us to receive personalized advice and resolve any questions you may have. Our team is available to offer you the best care.
Address
Technological Park of Paterna (Valencia)
Carrer de Nicolau Copèrnic 6,
1st Floor, Office 8
46980 Paterna (Valencia)
