ProtoQSAR Information

ProtoQSAR is a company specialized in the design and optimization of molecules through Machine Learning-powered chemoinformatics and structural bioinformatics. Our models allow for the prediction of molecular properties (QSAR) and detailed interaction analyses (molecular modelling). We work with all types of compounds, including small molecules, peptides, nanomaterials, mixtures… Our tools allow for the prediction and assessment of physicochemical, biological, pharmacological, and/or (eco)toxicological properties of substances with an array of advantages: - faster results - saving money and resources - reduce animal testing (3 Rs) - regulatory validity (REACH, CLP, ICH, BPR…) Our technology is optimized for the chemical sector (including regulatory toxicology). Serving customers and collaborators since 2012, we have experience in 10+ international research projects, and our team has 80+ relevant publications.