Value proposition

Chemoinformatics and modeling solutions to optimize your drug candidates.

MolDrug is a company group 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 both the chemical sector (including regulatory toxicology) and the pharma / biotech / drug development sector (including nutraceutics, cosmetics and veterinary).

QSAR, Molecular modelling, Chemoinformatics, In silico services, Molecular docking, Virtual screening, ADME, Toxicology, Ecotoxicology, Nanoinformatics, CADD, Peptides, Cosmetics, Nutraceuticals, Drug discovery, and Computer-Assisted Drug Discovery