ProtoQSAR is a company focused in the application of computational methods for the prediction of physicochemical properties and/or biological activities of chemical compounds.

Chemoinformatics and molecular modelling have demonstrated their efficacy to save time and resources in projects related to the discovering of new chemicals and new materials. ProtoQSAR’s objective is to apply these techniques to provide efficient solutions to our customers and collaborators. The company holds ample experience in the application of computational techniques in different fields (pharmacy, food, cosmetics…).

ProtoQSAR stands out for its expertise in the development of mathematical predictive models of structure-activity relationships (QSAR). The company is currently unique in Spain in providing a specific and specialized service in the QSAR field. In order to help companies to comply with the requirements of the European REACH regulations, ProtoQSAR is involved in projects related to the generation of predictive models of toxicity of materials used by chemical industries. These models are intended to progressively facilitate the replacement of toxic materials by less harmful ones. ProtoQSAR is also working on the risk assessment of nanomaterials by the development of predictive models of relevant properties (NanoQSAR).

ProtoQSAR arises from the experience and scientific background of its team members, who accumulate fifteen years of activity in this field in both academic and industrial sides. The team has more than 80 publications in peer reviewed international scientific journals, seven chapters in specialized books and about 50 presentations in national and international conferences.

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