For many decades, the method to obtain atomic-level descriptions of chemical compounds and materials—be it a drug, a catalyst ...

A chemical compound is a chemical substance consisting of two or more different chemically bonded chemical elements, with a fixed ratio determining the composition. The ratio of each element is ...

Although originally created merely as repositories for compounds synthesized within an organization, chemical databases can now be searched to give novel ideas for lead discovery. The familiar ...

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 ...

Drug developers may have a new tool to search for more effective medications and new materials. It's a computer algorithm that can model and catalog the entire set of lightweight, carbon-containing ...

Add Yahoo as a preferred source to see more of our stories on Google. The universe is flooded with billions of chemicals, each a tiny pinprick of potential. And we’ve only identified 1% of them.

It is important to note that certain of these chemical shifts and functional groups overlap each other, including atoms other than hydrogen, oxygen and carbon. It is beneficial to omit these since it ...