Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Scientists have developed a new technique that doubles the amount of hydrogen produced when splitting water molecules with ...

Large language models are powering a new generation of AI agents that could transform computational chemistry from a ...

For Tim Cernak of the University of Michigan, small certainly is beautiful. He and his colleagues have redesigned some of the most popular reactions in medicinal chemistry so that they work in ...

The field of analytical chemistry in pharmaceutical applications has evolved substantially with advances in method development and validation. Contemporary techniques underscore the importance of ...

The 2022 Nobel prize in chemistry has been awarded to a trio for developing click chemistry, an environmentally friendly method for rapidly joining molecules to develop cancer treatments, create ...

Techniques like SPME and QueChERS enhance sustainability by minimizing solvent and consumable use in sample preparation. With the increasing interest in green chemistry and sustainability, analytical ...

Back in the old days—the really old days—the task of designing materials was laborious. Investigators, over the course of ...

Chemists offer two new methods to develop a way to easily replace a carbon atom with a nitrogen atom in a molecule. The findings could make it easier to develop new drugs. For years, if you asked the ...

Medicinal chemistry, also known as pharmaceutical chemistry, is a branch of chemistry focused on the development of new drugs and the improvement of existing ones. It is an interdisciplinary field ...

A new computational approach developed at the University of Chicago promises to shed light on some of the world's most puzzling materials—from high-temperature superconductors to solar cell ...

A new microscopy method enables researchers to visualize the activity of the enzymes caspase-3 and alkaline phosphatase in various biological samples (Nat. Methods 2024, DOI: ...