30 april 2009, Interface

Construction and data mining of chemical and biological databases
Predicting biological activity of compounds accurately is of great importance in the development of new drugs. Not only bioinformatics methods are used to predict for example receptor interaction with a drug, but also cheminformatics methods to predict the possible toxicity of a potential drug molecule. Jeroen Kazius constructed extensive databases and designed new data mining methods which can more accurately predict such activities.