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
Perfil de interés Persona especializada en área química-salud que quiera iniciarse en labores de desarrollo de negocio y comerciales (Business Development). Estudios en Farmacia, Biotecnología, Química, o similares, preferentemente con orientación al área de la salud. Interés por el desarrollo de negocio y/o acción comercial. Idiomas: español e inglés, nativo o alto nivel (oral y […]

Job Offer
We are looking for an experienced Physiologically-based pharmacokinetic (PBPK) modeler post-doctoral researcher to join ProtoQSAR in a 3-year Torres Quevedo contract. The aim of the candidate will be to develop computational PBPK predictive models for bioactive compounds, mainly drugs. ProtoQSAR–MolDrug is specialized in the design, optimization, valorization, and development of new compounds (small molecules, peptides, […]

Normative ICH
What characteristics should a QSAR model have from a regulatory point of view? A case of the ICH regulation. As we saw in our previous post about what QSAR models are and how are they created, the REACH (chemical products) and ICH (drug) legislations not only accept, but also promote the use of alternative methods […]