Transition metal (TM)‐catalyzed difunctionalization of unactivated olefins with two carbon‐
based entities is a powerful method to construct complex molecular architectures rapidly …

Multicomponent reactions (MCRs) are fundamentally different from two‐component
reactions in several aspects. Among the MCRs, those with isocyanides have developed into …

The exploration of privileged structures in drug discovery is a rapidly emerging theme in
medicinal chemistry. These structures represent a class of molecules capable of binding to …

Highlights•Providing concepts and generation processes of chemical fingerprints.•
Comparing the algorithms and characteristics among different types of fingerprints.• …

High-throughput and virtual screening are important components of modern drug discovery
research. Typically, these screening technologies are considered distinct approaches, as …

With the recent emergence of combinatorial chemistry and high-speed parallel synthesis for
drug discovery applications, the multi-component reaction (MCR) has seen a resurgence of …

In the search for new therapeutic agents for currently incurable diseases, attention has
turned to traditionally “undruggable” targets, and collections of drug-like small molecules …

From approximately the early 1980s, the “influence of natural products” upon drug discovery
in all therapeutic areas apparently has been on the wane because of the advent of …

Using a simple model of ligand− receptor interactions, the interactions between ligands and
receptors of varying complexities are studied and the probabilities of binding calculated. It is …

Chemoinformatics draws upon techniques from many disciplines including computer
science, mathematics, computational chemistry and data visualisation to tackle these …