BioAxis Research

BioAxis Research is a computational medicinal chemistry and cheminformatics consultancy that collaborates with pharmaceutical, biotechnology, chemistry, and screening organizations to advance early-stage drug discovery. Drawing on substantial pharmaceutical industry experience, it helps clients identify promising leads and develop drug candidates through practical, secure research partnerships.

Its services include cheminformatics, molecular property calculations, data mining, computational medicinal chemistry, and structure- and fragment-based drug design. The team also conducts compound collection analysis and library design, studies structure–activity relationships, supports multiparameter compound optimization, and assesses whether compounds are suitable for progression. Its work combines data, text, and network mining with association analysis to reveal useful relationships and guide discovery decisions.

BioAxis Research applies computational tools ranging from commercial molecular modelling software to open-source workflow systems and relational databases. Its activities include developing predictive models, including message-passing neural networks for molecule property and toxicity prediction, and contributing to open-source drug-design workflows. The company also provides education and practical training in areas such as KNIME-based computational drug design.