Mapping Adverse Drug Reactions in Chemical Space
Josef Scheiber, Jeremy L. Jenkins, Sai Chetan K. Sukuru, Andreas Bender, Dmitri Mikhailov, Mariusz Milik, Khalil Azzaoui, Steven Whitebread, Jacques Hamon, László Urbán, Meir Glick, John W. Davies · Journal of Medicinal Chemistry · 2009
We present a novel method to better investigate adverse drug reactions in chemical space. By integrating data sources about adverse drug reactions of drugs with an established cheminformatics modeling method, we generate a data set that is then visualized with a systems biology tool. Thereby new insights into undesired drug effects are gained. In this work, we present a global analysis linking chemical features to adverse drug reactions.