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.

A summer filled with scientific events
At ProtoQSAR, we are dedicated to innovation and progress in the field of computational chemistry and toxicology. This summer, our researchers have distinguished themselves at various scientific events, sharing their knowledge and showcasing our latest projects. From the Summer School of the Spanish Society of Therapeutic Chemistry to the EUROPIN Congress in Vienna and beyond, […]

Job offer in Computational and Regulatory Toxicology
Job offer in Computational and Regulatory Toxicology ProtoQSAR is a computational chemistry and molecular modeling company specializing in biomedicine. We focus on the development and optimization of active compounds in various fields, such as pharmaceuticals, cosmetics, and functional foods. Founded in Valencia in 2012, we have offices at the European Center for Innovative Companies (CEEI) […]

New QSAR Modeling Courses
Are you ready to dive into the fascinating world of computational chemistry and make a significant impact in drug discovery and toxicology? Look no further; we’re thrilled to introduce our two cutting-edge courses aimed at equipping you with the skills and knowledge to excel in this dynamic field. Don’t miss out on this incredible opportunity […]
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