From the start of a synthetic chemist's training, experiments are conducted based on recipes
from textbooks and manuscripts that achieve clean reaction outcomes, allowing the scientist …

Accelerating the discovery of new molecules and materials, as well as develo** green
and sustainable ways to synthesize them, will help to address global challenges in energy …

Quantitative structure–activity relationship (QSAR) modelling, an approach that was
introduced 60 years ago, is widely used in computer-aided drug design. In recent years …

Flow chemistry has unlocked a world of possibilities for the synthetic community, but the idea
that it is a mysterious “black box” needs to go. In this review, we show that several of the …

Electrocatalysts and photocatalysts are key to a sustainable future, generating clean fuels,
reducing the impact of global warming, and providing solutions to environmental pollution …

The discovery and advances of medicines may be considered as the ultimate relevant
translational science effort that adds to human invulnerability and happiness. But advancing …

Biocatalysis has become an important aspect of modern organic synthesis, both in
academia and across the chemical and pharmaceutical industries. Its success has been …

This comprehensive review investigates the multifaceted applications of machine learning in
materials research across six key dimensions, redefining the field's boundaries. It explains …

Chemical reaction networks (CRNs), defined by sets of species and possible reactions
between them, are widely used to interrogate chemical systems. To capture increasingly …

Machine learning models are poised to make a transformative impact on chemical sciences
by dramatically accelerating computational algorithms and amplifying insights available from …