Chemistry, traditionally being the science of synthesis and structural manipulations of
molecules, has gradually undertaken the more challenging task of biology-oriented …

Natural products have been the single most productive source of leads for the development
of drugs. Over a 100 new products are in clinical development, particularly as anti-cancer …

Identifying the molecular targets for the beneficial or detrimental effects of small-molecule
drugs is an important and currently unmet challenge. We have developed a method, drug …

Motivation Computational approaches for predicting drug–target interactions (DTIs) can
provide valuable insights into the drug mechanism of action. DTI predictions can help to …

Photoaffinity labeling (PAL) using a chemical probe to covalently bind its target in response
to activation by light has become a frequently used tool in drug discovery for identifying new …

Cancer with heavily economic and social burden is the hot point in the field of medical
research. Some remarkable achievements have been made; however, the exact …

Complex biological systems are traditionally modelled as graphs of interconnected
biological entities. These graphs, ie biological knowledge graphs, are then processed using …

Small-molecule target identification is a vital and daunting task for the chemical biology
community as well as for researchers interested in applying the power of chemical genetics …

Current high‐throughput screening methods for drug discovery rely on the existence of
targets. Moreover, most of the hits generated during screenings turn out to be invalid after …

Covering: up to February 2016 Identification of the target proteins of natural products is
pivotal to understanding the mechanisms of action to develop natural products for use as …