Cover Picture: Analysis of Pharmacology Data and the Prediction of Adverse Drug Reactions and Off‐Target Effects from Chemical Structure (ChemMedChem 6/2007)

Abstract

The cover picture shows the relation of a chemical structure (here the statin Cerivastatin) to a protein target and phenotypic observations (symbolized by a human). Statistical models for both links can be applied independently, predicting target activity and adverse reactions. Furthermore, they can also be linked, giving clues as to which targets are associated with particular adverse reactions. This knowledge can be used for optimizing panels used in preclinical profiling (where targets selected are those which give the most information about adverse reactions of particular concern); in the long run, those models will also facilitate more efficient progression of promising compounds into the clinic. For details, see the Full Paper by A. Bender et al. on p. 861 ff. (Cover design by Alan Abrams, Novartis.)