About us
Our activity consists in the development and application of computational methods for the evaluation of physicochemical, biological and/or (eco)toxicological properties of chemicals, either of natural origin or synthesized. Our computer tools allow us to work in a “virtual” environment, which has advantages over traditional laboratory tests.
Try our computational prediction platform for chemical compounds
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
Mission
Given the exclusively computerized nature of our methods, ProtoQSAR activity has a very positive social impact. First, through computation it is possible to reduce the number of laboratory animal tests, or even to replace them in some cases*. Approximately 12 million vertebrate animals are slaughtered annually in the EU for scientific or regulatory purposes (Taylor, K., & Rego, L. (2016). EU statistics on animal experiments for 2014. ALTEX, 33, 465-468). These tests are ethically questionable, and their preparation and execution are also expensive and time consuming.
On the other hand, our activities are also intended to contribute to environmental improvement. We have predictive models for a large number of eco-toxicological parameters (aquatic toxicity, toxicity in different species such as bees or terrestrial organisms, etc.), which allows us to guide the development of new active substances towards those that have proven effectiveness while respecting our natural environment.
*Computational approaches are part of the so-called alternative methods, whose purpose is the fulfillment of the “3 Rs”: refinement of conventional methods to reduce the potential suffering of living beings used in experimentation, reduction in the number of animals used, and finally the replacement of said tests by others in which the animal sacrifice is not necessary.
Values
At ProtoQSAR we firmly believe in the value of experience, the culture of hard work and the satisfaction for well-donework. We intend to satisfy our customers/collaborators by contributing our commitment in each of the projects in which we participate, and our high motivation to develop them and bring them to a good end.
We fully adhere to the proposals made at the 1st National Congress of Entrepreneurial Scientists (Valencia, 2012) in which a code of good practices was proposed that would make compatible the responsible use of Science with Entrepreneurship. In ProtoQSAR we subscribe completely and without exception all the points of said code. We are convinced of the importance of the good practices of entrepreneurial scientists, respect for our environment and society as a whole, and we are committed to contributing to a more fair and solidary society.
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 sides.
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.
Below we present the team that is part of ProtoQSAR in Spain. If you would like to meet the ProtoQSAR Italy team, click here.
Executive team
Since 2010: independent consultant in the area of computer science and molecular modeling for different companies and chemical-pharmaceutical groups, and since 2012 as founder and director of ProtoQSAR.
2007-2010: Scientific collaborator in the Laboratory of Structural Biochemistry, Príncipe Felipe Research Center (CIPF), Valencia. Responsible for the computational management of the database of available chemical compounds.
2001-2007: Senior scientist in the molecular modeling group of the company CEREP (Paris, France). Project Manager in different drug design projects, computational management of the company’s compound databases and the development of models for the generation of focused chemical libraries (GPCRs, CNS, kinases).
1998-2001: Postdoctoral position in the “Groupe de Chimie Informatique et Modélisation” of ITODYS – CNRS and the Faculté de Médecine (Université Paris VII). Project developed: “Computer design and experimental evaluation (in vitro and in vivo) of new active drugs against opportunistic AIDS infections”.
1998: PhD in Pharmacy (University of Valencia), title of the doctoral thesis “Application of Molecular Connectivity to the selection of new drugs with potential antiprotozoal activity”.
Since 2024: Professor of Technology. Department of Education, Culture, Universities, and Employment, Generalitat Valenciana.
2016: Doctor in Agronomy, Polytechnic University of Valencia. Title of Doctoral Thesis: “Analysis of the Potential of Carbonic Fertirrigation in Citrus Fruits”.
2004-2016: Technical Manager of regional, national and European projects in the private foundation “Research and Innovation for Social Development” (Valencia).
Since 2001: Professor of Secondary school, specialty Technology. Department of Education, Culture, Universities, and Employment, Generalitat Valenciana.
1995-2001: Construction manager for the company Fomento de Construcciones y Contratas S.A.
1995: Agronomist Engineer(Higher Technical School of Agricultural Engineers of the Polytechnic University of Valencia).
2019: Incorporation to ProtoQSAR as a Chemoinformatician/ Bioinformatician.
Since 2014: Associate Professor in the Department of Biomedicine, Faculty of Medicine, University of Barcelona.
2018-2020: Master’s Degree in Bioinformatics, University of Valencia.
2013 – 2018: Postdoctoral Associate in the Immunobiology Group (Dr. Margarita Martín Andorra). Department of Biomedicine, Faculty of Medicine, University of Barcelona – Fundació Clínic per a la Recerca Biomèdica (Barcelona).
2012: Doctor in Biomedicine, Pompeu Fabra University (Barcelona).
2008: Master’s Degree in Biomedical Research, Pompeu Fabra University (Barcelona).
2006: Bachelor’s Degree in Biochemistry, University of Valencia.
Senior researchers
Toxicology
2021: Joined as researcher in a Marie Curie European Project: GenoQSAR – ProtoQSAR (Paterna).
2020 – 2021: Researcher/Data analyst – IIS-LaFe (València).
2018 – 2019: Data Science National Certificate- ECAM (Strasbourg, France).
2015 – 2016: Molecular modelling expert – Rolic Technologies Ltd. (Allschwil, Switzerland).
2013 – 2015: Postdoctoral Researcher – EMPA, Swiss Federal Laboratories for Materials Science and Technology. (Dübendorf, Switzerland).
2008 – 2012: PhD in Molecular Modelling – Universiteit Leiden (Leiden, The Netherlands). Thesis subject: “In-silico study of reaction mechanisms and design principles for water oxidation catalysts”.
2003-2008: University degree in Chemistry – Universitat de València.
2024: Incorporation to ProtoQSAR as a Senior Researcher.
2021-2024: Senior Researcher – Institute of Molecular Science ICMol, (Valencia, Spain).
2020-2021: Junior Researcher – University of Valencia (Valencia, Spain).
2017-2020: Research Associate – University of Bristol (Bristol, UK).
2011-2017: PhD in Theoretical Chemistry and Computational Modeling – University of Valencia. Thesis Title: “Developing Environmental Coordinates for the Study of Enzymatic Catalysis”.
2010-2012: Master’s in Theoretical Chemistry and Computational Modeling – University of Valencia (Valencia, Spain).
2005-2010: Bachelor’s Degree in Chemistry – University of Valencia (Valencia, Spain).
2021: Incorporation to ProtoQSAR as a PhD student in the project: “Computational approaches for next-generation risk assessment of hepatic toxicity”.
2021: Master’s Degree in Bioinformatics and Biostatistics, Open University of Catalonia. Final Master Project: “Research of nutraceuticals for the prevention and treatment of Alzheimer’s disease”.
2020: Internship at ProtoQSAR as a Master’s Degree student.
2016: Bachelor’s Degree in Biotechnology, Polytechnic University of Valencia. Final Project at Health Research Institute La Fe (IIS La Fe): “Functional characterization of neonatal hepatocytes cryopreserved to be used in hepatic cell therapy”.
2025: Incorporation into ProtoQSAR as Regulatory Toxicology Technician.
2024 – 2025: Independent consultant in chemical products legislation, Quimilex.
2021 – 2023: Legal technician, eQgest (Torrent).
2010 – 2020: Legal coordinator, Suavizantes y Plastificantes Bituminosos (Cheste).
2016: Intensive course on preparing the Product Information File and Cosmetic Product Safety Assessment (University of Barcelona: Institute for Continuing Education).
2012–2013: Official Master’s Degree in Food Quality and Safety. Department of Preventive Medicine and Public Health, Food Sciences, Toxicology and Legal Medicine (University of Valencia).
2007–2008: Licence professionnelle en management des organisations option qualité et sécurité en alimentation. (Université des Sciences et Technologies de Lille (Francia)).
2005–2007: DUT Génie biologique option industrie agroalimentaire et biologique. (Université de Sciences et Technologie de Caen (Francia)).
Pre-doctoral researchers
2025: Started PhD at ProtoQSAR.
2023: Incorporation to ProtoQSAR as a bioinformatic researcher.
2022: Master’s Degree in Research and Development in Biotechnology and Biomedicine, University of Valencia, Valencia. Final Master Project in Coxsackievirus B3 proteases: Identification of novel cellular targets (Institute for Integrative Systems Biology).
2021: Bachelor’s Degree in Biotechnology, Miguel Hernández University, Elche. Final project in the effect of 5-Fluorouracil and Verteporfin on the infectivity and the innate immune response in viral infections of zebrafish cells (Institute of Research, Development, and Innovation in Sanitary Biotechnology of Elche).
2025: Started PhD at ProtoQSAR.
2023: Incorporation to ProtoQSAR as a bioinformatician.
2023: Internship at MolDrug as a master’s student.
2023: Master in Applied and Pharmacological Chemistry, Jaume I University, Castellón. Final Master Project on “Theoretical study of the first stage of the reaction mechanism catalyzed by CD38” (Biocomp research group, Castellón).
2023: Research grant in “Initiation to research in the study of the mechanism of reactions catalyzed by CD38 glycoprotein and design of new inhibitors”. (Biocomp research group, Castellón).
2022: Degree in Biotechnology, University of Girona, Girona. Final Degree Project on “Structural and dynamic study of the RNA recognition process in the CRISPR/Cas9 system” (Institut de Química Computacional i Catàlisi, Girona).
2025: Started PhD at ProtoQSAR.
2024 – Incorporation to ProtoQSAR as a Junior Researcher within the project: “Modeling the Toxicity of Materials Using AI-based Techniques.”
2024: Extracurricular internship at MolDrug.
2022 – 2024: Master’s in Bioinformatics, University of Valencia. Master’s Thesis: “Application of Machine Learning to Individuals with Cognitive Impairment” (Institute of Biomedicine of Valencia).
2023: Extracurricular internship at the Institute of Biomedicine of Valencia (Department of Molecular Genetics).
2018 – 2022: Bachelor’s Degree in Biotechnology, Catholic University of Valencia. Bachelor’s Thesis: “Determination of the Effects of Ectopic Expression of the NachBac Sodium Channel in Neuro-2A Cells” (Principe Felipe Research Center).
2024: Incorporation to ProtoQSAR as a Junior Researcher.
2024: Extracurricular internship at ProtoQSAR.
2024: Graduated in Chemistry from the University of Valencia. Final degree project “Síntesis de óxidos metálicos transparentes como transportadores de cargas selectivos para dispositivos fotovoltaicos y fotodetectores” at the Institute of Materials Science of the University of Valencia.
2021-2023: Creator and Administrator of Websites.
2024: Incorporation to ProtoQSAR as Junior Researcher.
2024 – Extracurricular internship at Mendel’s Brain.
2022-2024 – Chromatographic laboratory analyst. Analysis of antibiotics and mycotoxins using HPLC-MS/MS techniques.
2022-2024 – Interuniversity Master’s at UOC-UB in Bioinformatics and Biostatistics. Master’s thesis: “Implementation of information systems for the detection of genomic variants”.
2020 – Extracurricular internship at the Valencian Institute of Agricultural Research.
2017-2021 – Bachelor’s degree in Biotechnology from the Catholic University of Valencia. Bachelor’s thesis: “Identification of potential regulators in the secondary growth of Arabidopsis thaliana” (Institute of Molecular and Cellular Biology of Plants).
2017 – Internship at Laboratorios Tecnológicos de Levante in the analysis and detection of pesticides and mycotoxins using HPLC-MS/MS techniques.
2015-2017 – Advanced specific vocational training in Environmental Health.
Business Development
Management team
2020 – Present: Business Development Manager (ProtoQSAR).
2025 – Present: Board member, Catalan Association of Science Communication (ACCC).
2021 – 2023: Board member of the Spanish Association of Science Communication (AEC2).
2020 – 2022: Associate Professor (Universitat Autònoma de Barcelona, Biological Anthropology Unit; Department of Animal Biology, Plant Biology and Ecology).
2019 – 2025: General Secretary of “PRISMA, Association for Affective and Sexual Diversity in Science, Technology, and Innovation” (Spain).
2018 – Present: Collaborator in the citizen initiative of scientific advisory to the Spanish legislative power “Ciencia en el Parlamento” (Science in Parliament, Spain).
2017 – Present: board member of the Spanish Association of Biotech Communication (ComunicaBiotec).
2015 – Present: Science and culture outreach writer and professional (member of “Hablando de Ciencia”, Scenio ; director of BCNspiracy; codirector of “Una Mirada LGTBI+”).
2020: Research support technician (Evolutionary Biology Institute, Spanish National Research Council – Universitat Pompeu Fabra).
2019 – 2020: Coordinator (Association Bioinformatics Barcelona – BIB, Barcelona).
2018 – 2020: International relations & collaborative research projects (Association Bioinformatics Barcelona – BIB, Barcelona).
2016 – 2018: Communications Manager (Anaxomics Biotech, Barcelona).
2014 – 2018: Business Developer (Anaxomics Biotech, Barcelona).
2012 – 2014: Project Manager (Anaxomics Biotech, Barcelona).
2015: MSc Biological Anthropology (Universitat de Barcelona & Universitat Autònoma de Barcelona).
2013: BSc & MSc Biotechnology, Universitat Autònoma de Barcelona.
2024: Incorporation to ProtoQSAR as Commercial and Internationalization Technician.
2024 – Present: Master’s in Data Science and Business Analytics at IMF.
2021 – Present: CEO of Cube App, the revolution of local commerce. Project development, business model viability management, growth strategy creation, marketing campaign planning, and scalability.
2020 – 2024: Management of various qualifications in the Guidance and Professional Placement Department at Florida Universitaria.
2020 – 2024: Bachelor’s Degree in Business Administration and Management at Florida Universitaria, affiliated with the University of Valencia. Award for Best Final Degree Project in Entrepreneurship and Innovation: “The Digitalization of Local Commerce.”
2017 – 2020: SEO and SEM Course. Personal project of creating a fleet of websites with optimized SEO and handling analysis tools.
2016 – 2017: Intern as a Commercial Advisor for businesses and individuals at Bankia S.A.
2016 – 2017: Higher Vocational Training in Administration and Finance at Florida Universitaria.
2025 – Present: Head of Communications at ProtoQSAR S.L.
2024–2025: University Master’s Degree in Social Communication of Scientific Research at Universidad Internacional de Valencia (VIU). Final Master’s Project: “NAM en la sociedad: analizando su percepción y alcance en la era digital”, supervised by Dr. Laureano E. Carpio.
2024: Joined ProtoQSAR S.L. as Communication Specialist.
2024: Training internship at ProtoQSAR S.L. as “Asistente de Investigación en Ciencias de Datos y Toxicología” through “Fundación Universitat Empresa de la Universitat de València (ADEIT)” .
2023: Degree in Chemistry from Universitat de València. Final Degree Project: “Exploración teórica de reacciones Diels–Alder guiadas por interacciones no covalentes” at Instituto de Ciencia Molecular (ICMol), supervised by Dr. Joaquín Calbo.
2022: Internship at Polymer Solutions S.L., working in the distribution of industrial chemical additives for sectors such as plastics, rubber, and paints. Also responsible for document management, sales support, and chemical product regulation, under the supervision of Pablo Dalmau.
2019: Internship at “Instituto de Reconocimiento Molecular y Desarrollo Tecnológico (IDM)”, supervised by Dra. Margarita Parra, focused on the development of molecular sensors and probes.
2024: Joining ProtoQSAR as Project Manager.
2021-2024: Management Assistant (Economic Management, PRL, HR, Logistics) in ITENE.
Postgrado in Hospitality Management at Les Roches Marbella – International School of Hotel Management.
Diploma in Tourism.
Higher Degree in Administration and Finance.
2024: Incoporation to ProtoQSAR as a Computer Specialist.
2022-2024: Master’s in Economics, Finance, and Computing, International University of Andalusia, Huelva.
2016-2018: Master’s in Computer Science, Central University “Marta Abreu” of Las Villas, Cuba.
2018-2022: Computer Specialist, Los Caneyes Hotel Complex, Villa Clara, Cuba.
2015-2018: Computer Specialist, Ministry of Tourism Delegation, Villa Clara, Cuba.
2010-2015: Bachelor’s in Computer Engineering, Central University “Marta Abreu” of Las Villas, Cuba.
Do you want to work with us?
At ProtoQSAR we are an innovative company and we are interested in finding
motivated people to join our team. Even if there are no vacancies open, you can
send us your CV and we can explore opportunities.
Fill out our form and
send us your resume to rrhh@protoqsar.com
We collaborate with different national and international clusters
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)
