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 ...

An XML-based approach to the communication of chemical information in the biomedical literature would prevent the loss of crucial information and facilitate the re-use of data – and would be easily ...

In the fight against chemical weapons, information is power. That’s why researchers are hopeful that a new database of chemical warfare agents (CWAs), including molecular structures and other key ...

In a Q&A, Gabe Gomes discusses the potential to combine human creativity with machine capability, transforming chemical research. Subscribe to our newsletter for the latest sci-tech news updates.

Chemical information management is a great field for chemical scientists who love conducting research and have strong technical skills and computer expertise. These careers typically involve spending ...

Large chemical collections require robust management systems that span curation to long-term storage. Integrated physical and ...