Scientific software for chemoinformatics: powerful, efficient, and tailored

About us

ProtoQSAR Italia, established in 2024, is the Italian branch of ProtoQSAR, specializing in QSAR modeling, and chemoinformatics.

The company provides research and development services for both academia and industry, including support for REACH compliance and predictive toxicology.

The Italian branch brings specialized expertise in data science, scientific software development, and computational chemistry, in the chemical/pharmaceutical and environmental fields. Working closely with our parent company, we design and develop custom software solutions that seamlessly integrate QSAR models, streamline chemical and toxicological data management, and facilitate regulatory compliance. Our solutions help our clients to analyze, predict, and visualize chemical properties efficiently, improving decision-making and accelerating innovation.

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

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Our software and projects

A widely-used open-source platform with more than 100 QSAR models, designed for regulatory usage.

We support the italian Istituto di Ricerche Farmacologiche “Mario Negri” in its development, being in charge of the software implementation. The software is available from its official website, we can provide custom solutions to use and integrate it within any architecture.

EU H2020 project that will develop an innovative platform and an integrated approach for testing and assessment of the potential of chemicals to induce cardiotoxicity. The novel approach will strengthen the capacity of regulators and industry to prevent cardiotoxic coexposures to industrial chemicals and pharmaceuticals in an effective way.

We are sub-contractors, working on the software implementation of a series of QSAR models, that will be made available within the VEGA platform. Learn more on the project official website.

Research project led by INERIS, that will bring together chemo- and bio-informatics to create a novel tool for virtual screening of potential endocrine disruptor substances, providing information on their mode of action (EATS pathways).

We are sub-contractors, in charge of the design and development of the software platform, and of the implementation of new QSAR models that will be made available within the VEGA platform.

Computational toxicology

Computational evaluation of the properties required by different regulations in force

Software development

Development of custom solutions to manage chemical/toxicological data and integration of QSAR tools

Design and optimization

"Drug discovery", virtual screening, drug repositioning, ADME-T properties prediction, etc.

Collaborative projects

We participate in national and European projects on REACH, biocides, nanomaterials, endocrine disruptors, etc.

Our Team

Head of ProtoQSAR Italia

Alberto Manganaro

2023: Joined ProtoQSAR as Chemoinformatics Specialist.

2012-2023: Founder of Kode srl and (from 2019) of the subsidiary company Kode Chemoinformatics srl.

Since 2008: Scientific collaborator in the Laboratory of Environmental Chemistry and Toxicology led by prof. Emilio Benfenati at Istituto di Ricerche Farmacologiche “Mario Negri”.

2006-2012: Scientific collaborator in the Milano Chemometrics and QSAR Research Group led by prof. Roberto Todeschini, at University of Milano – Bicocca.

2006: University degree in Computer Science – University of Milano Statale.

CEO of ProtoQSAR

Rafael Gozalbes Botella

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”.

Software developer

Davide Pirolo

2022-2024: Software developer at Tutornow, responsible for backend development and data management.

2022-2024: Master’s degree in Computer Science, ICT Solution Architect Curriculum at the University of Pisa. Thesis title: “Exploiting Taproot Scripts for Enhancing Application in Bitcoin”.

2019-2022: Bachelor’s degree in Computer Science at the University of Milan Bicocca.

Business Development Assistant

María Teresa Martínez Burillo

2026: Joined ProtoQSAR as part of the Business Development team.

2025: Foreign Trade Specialist at Froca SL, Biar, Alicante, Spain.

2023–2025: Head of the Export Department at AMR Anagramas Metálicos, Castalla, Alicante, Spain.

2022–2023: Master’s Degree in Foreign Trade, Cámara de Comercio de Madrid.

2018–2022: Bachelor’s Degree in International Relations, Universidad de Murcia.

IT specialist

Jessica Coto Palacio

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.

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.

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Address

ProtoQSAR Italia s.r.l.

Via Cisanello, 38
56124 Pisa PI

P.IVA: 02517490500

Contact

E-mail: italia@protoqsar.com

PEC: protoqsar.italia@pec.it