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 ...

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 ...

Assessing a drug compound by its activity, not simply its structure, is a new approach that could speed the search for COVID-19 therapies and reveal more potential therapies for other diseases. This ...