Computer-aided drug discovery has been around for decades, although the past few years
have seen a tectonic shift towards embracing computational technologies in both academia …

The ongoing pandemic of coronavirus disease 2019 (COVID-19) caused by the severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has made a serious public health …

The efficacy and synthetic versatility of asymmetric organocatalysis have contributed
enormously to the field of organic synthesis since the early 2000s. As asymmetric …

Molecular docking is an established in silico structure-based method widely used in drug
discovery. Docking enables the identification of novel compounds of therapeutic interest …

The recent outbreak of the deadly coronavirus disease 19 (COVID‐19) pandemic poses
serious health concerns around the world. The lack of approved drugs or vaccines continues …

Protein–protein interactions (PPIs) govern all biological processes. Some small molecules
modulate PPIs through induced protein proximity. In particular, molecular glue degraders …

Structure-based virtual screening is an important tool in early stage drug discovery that
scores the interactions between a target protein and candidate ligands. As virtual libraries …

Because undesirable pharmacokinetics and toxicity are significant reasons for the failure of
drug development in the costly late stage, it has been widely recognized that drug ADMET …

This two‐part Review examines how automation has contributed to different aspects of
discovery in the chemical sciences. In this first part, we describe a classification for …

A new medicine will take an average of 10–15 years and more than US $2 billion before it
can reach the pharmacy shelf. Traditionally, drug discovery relied on natural products as the …