High-throughput screening and gene signature analyses frequently identify lead therapeutic
compounds with unknown modes of action (MoAs), and the resulting uncertainties can lead …

A bottleneck in drug discovery is the identification of the molecular targets of a compound
(mode of action, MoA) and of its off-target effects. Previous approaches to elucidate drug …

Genome-wide identification of all target proteins of drug candidate compounds is a
challenging issue in drug discovery. Moreover, emerging phenotypic effects, including …

Background The dominant paradigm in understanding drug action focuses on the intended
therapeutic effects and frequent adverse reactions. However, this approach may limit …

Identifying promising compounds during the early stages of drug development is a major
challenge for both academia and the pharmaceutical industry. The difficulties are even more …

We performed an integrated analysis of drug chemical structures and drug-induced
transcriptional responses. We demonstrated that a network representing three-dimensional …

The elucidation of a compound's Mechanism of Action (MoA) is a challenging task in the
drug discovery process, but it is important in order to rationalise phenotypic findings and to …

Identifying unexpected drug interactions is an essential step in drug development. Most
studies focus on predicting whether a drug pair interacts or is effective on a certain disease …

The Mergeomics web server is a flexible online tool for multi-omics data integration to derive
biological pathways, networks, and key drivers important to disease pathogenesis and is …

We present a workflow that leverages data from chemogenomics based target predictions
with Systems Biology databases to better understand off-target related toxicities. By …