Metal complexes have been widely used for applications in the chemical and physical
sciences due to their unique electronic and stereochemical properties. For decades the use …

In contrast to the traditional and widely-used cycloaddition reactions involving at least a π
bond component, a [2σ+ 2σ] radical cycloaddition between bicyclo [1.1. 0] butanes (BCBs) …

Ring structures such as pyridine, cyclopentane or their combinations are important motifs in
bioactive molecules. In contrast to previous cycloaddition reactions that necessitated a …

Virtual compound libraries are increasingly being used in computer-assisted drug discovery
applications and have led to numerous successful cases. This paper aims to examine the …

The construction of C (sp 3)–C (sp 3) bonds remains one of the most difficult challenges in
cross-coupling chemistry. Here, we report a photoredox/nickel dual catalytic approach that …

Abstract Machine learning approaches in drug discovery, as well as in other areas of the
chemical sciences, benefit from curated datasets of physical molecular properties. However …

Late-stage functionalization is an economical approach to optimize the properties of drug
candidates. However, the chemical complexity of drug molecules often makes late-stage …

Single fluoride substitution in trifluoromethylarenes is an ongoing synthetic challenge that
often leads to “over-reaction”, where multiple fluorides are replaced. Development of this …

Fragment-based drug discovery (FBDD) is a powerful strategy for the identification of new
bioactive molecules. FBDD relies on fragment libraries, generally of modest size, but of high …

The Suzuki–Miyaura cross-coupling reaction has emerged as one of the most powerful
methods for the construction of carbon–carbon bonds. Though most widely utilized for the …