The identification of protein function based on biological information is an area of intense
research. Here we consider a complementary technique that quantitatively groups and …

Predicting drug side-effects by chemical systems biology | Genome Biology Skip to main
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Systematic annotation of the primary targets of roughly 1000 known therapeutics reveals that
over 700 of these modulate approximately 85 biological targets. We report the results of …

Motivation: Most bioactive molecules perform their action by interacting with proteins or other
macromolecules. However, for a significant fraction of them, the primary target remains …

Many successful drugs bind to and modulate multiple targets in vivo. Successfully navigating
protein–ligand polypharmacology will be a crucial and increasingly utilized component of …

Although drugs are intended to be selective, at least some bind to several physiological
targets, explaining side effects and efficacy. Because many drug–target combinations exist …

The availability of interaction data between small molecule drugs and protein targets has
increased substantially in recent years. Using seven different databases, we were able to …

The use of network-based approaches to visualize and analyze different types of biologically
relevant interaction data has become increasingly popular in recent years. Topological …

Druggability predictions are important to avoid intractable targets and to focus drug
discovery efforts on sites offering better prospects. However, few druggability prediction tools …

We present the global mapping of pharmacological space by the integration of several vast
sources of medicinal chemistry structure-activity relationships (SAR) data. Our …