His research focuses on the development of cheminformatics methodologies to address problems in chemical data mining and drug discovery in particular. His research makes extensive use of statistical methods and has been applied to a variety of biological systems. Along with algorithm development, he is extensively involved in cheminformatics software development, including development of toolkits, web services and integration of these into distributed infrastructures. As a believer in Open Source and Open Data, much of his research and software is available under Open Source licenses.