ProtoQSAR is a company of computational chemistry, 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. Read more


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


REACH, ICH, CLP...
Computational evaluation of the properties required by different regulations in force


QSAR models
List of QSAR models available for the prediction of physico-chemical, (eco) toxicological parameters, etc.


Collaborative projects
We participate in projects on REACH, biocides, nanomaterials, endocrine disruptors, etc.

Business Development
Oferta de empleo para entrar a trabajar de Business Developer ProtoQSAR Descripción de ProtoQSAR ProtoQSAR es una empresa de química computacional y modelización molecular en biomedicina, especializada en el desarrollo y optimización de compuestos activos en áreas como farmacia, cosmética o alimentación funcional. Nuestros modelos informáticos son asimismo una alternativa eficiente que permite el […]

Job offer for a junior researcher
We are looking for a junior researcher to join our team! ProtoQSAR is a company specialized in the design, optimization, valorization, and development of new compounds (small molecules, peptides, nanomaterials, mixtures, etc.) through chemoinformatics and structural bioinformatics driven by machine learning (QSAR, molecular docking, molecular dynamics, etc.). Our tools allow the prediction and evaluation of […]

Newsletter #3
Newsletter nº3 This third issue of our newsletter, the first of 2023, comes with the exciting news that we want to share with you all. In this edition, we present our new hands-on course that will take place in Valencia, focused on machine learning methods for drug discovery and toxicology. Moreover, we share […]
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