Identifying drug targets plays essential roles in designing new drugs and combating
diseases. Unfortunately, our current knowledge about drug targets is far from …

Highlights•Early assessment of adverse drug reactions (ADRs) requires knowledge of their
mechanisms.•Chemical and biological drug features can be used for assessment of …

Identifying unexpected drug-protein interactions is crucial for drug repurposing. We develop
a comprehensive proteome scale approach that predicts human protein targets and side …

Drug repositioning, or the application of known drugs to new indications, is a challenging
issue in pharmaceutical science. In this study, we developed a new computational method to …

Motivation Side effects of drugs could cause severe health problems and the failure of drug
development. Drug–target interactions are the basis for side effect production and are …

The identification of beneficial drug combinations is a challenging issue in pharmaceutical
and clinical research toward combinatorial drug therapy. In the present study, we developed …

Target selection is the first and pivotal step in drug discovery. An incorrect choice may not
manifest itself for many years after hundreds of millions of research dollars have been spent …

At present, computational methods for drug repositioning are mainly based on the whole
structures of drugs, which limits the discovery of new functions due to the similarities …

Drug repurposing is a valuable tool for combating the slowing rates of novel therapeutic
discovery. The Computational Analysis of Novel Drug Opportunities (CANDO) platform …

Introduction Most drugs fail during development and there is a clear and unmet need for
approaches to better understand mechanistically how drugs exert both their intended and …