Essential Tools for Chemistry: A Celebration of IUPAC’s Contributions over the Past 100 Years

IUPAC will celebrate its Centenary in 2019. This global community of chemists, who reside within IUPAC’s National Adhering Organizations, has a rich history of accomplishments centered on providing a “Common Language for Chemistry.” But what does this really mean? How has IUPAC contributed to the enormous advances in the chemical enterprise over the last 100 years? What is the relevance and future role of IUPAC, not only in advancing chemistry and the related sciences, but also in solving the critical challenges facing our planet?

In preparation for the upcoming celebration, IUPAC will step back and take a moment to consider its accomplishments as a global community of chemists working towards a common goal, document those accomplishments for posterity, and envision IUPAC’s goals and objectives for the next one hundred years. One initiative already in progress under the leadership of Laura McConnell will highlight some of the Essential Tools that have been developed by the IUPAC community and examine their relevance, not only to today’s scientists, but also to the future of chemistry and to the benefit of society in general.

Each month from January 2018 to December 2019, a story will be posted on IUPAC.org. For this initiative, “Essential Tools” are defined broadly to include the many and diverse initiatives undertaken by the Union. For, while IUPAC was initially established to create a common language for chemistry, the Union’s work encompasses the unification of experimental methods and the establishment of standards (including file formats for spectra) and reference materials, recommendations on procedure, safety training, and various educational needs.

Among the “Essential Tools” to be celebrated are:

1) Awards that range from the IUPAC-Solvay International Award for Young Chemists, which supports and encourages young researchers at the start of the scientific career, to the IUPAC Distinguished Women in Chemistry or Chemical Engineering Awards, established to recognize and support the work of outstanding women scientists.

2) International Conferences that not only provide a forum for the free exchange of scientific information, but also contribute to the worldwide understanding and application of the chemical sciences. An example is the International Conference on Green Chemistry, established to advance research for the sustainability of our planet.

3) Chemical Safety and Responsible Care programs for the training of researchers from developing countries so that they can deliver improved environmental, health, and safety programs to their institutions.

4) The Periodic Table, for which IUPAC oversees the confirmation and naming of new elements

5) The nomenclature, terminology, symbols, and standards that serve as the foundation for the common language of chemistry shared worldwide and that are freely accessible to researchers around the globe via the IUPAC Color Books.

As scientists, we know that precision and accuracy are critical for success. In chemistry, unambiguous communication regarding the precise identity and structure of chemicals used in research is a requirement for advancement in the field. So it is fitting that the first Essential Tool to be highlighted is an example of how IUPAC has fulfilled its charter and ensured the unambiguous communication of chemicals among chemists worldwide through the development of the IUPAC International Chemical Identifier or InChI.

InChI is a standard identifier for a chemical structure that has enabled chemicals in public and private databases to be matched and linked together across the internet, for example in peer-reviewed journal publications. The InChI format and algorithm are non-proprietary and the software is open source, with ongoing development performed within the chemistry community. InChI truly provides a common language for chemistry that is both human and machine-readable, with applications in research, intellectual property, and chemical safety. Since its initial launch in 2009, InChI development has been under the guidance of the InChI Trust (see: www.inchi-trust.org) in collaboration with IUPAC’s Division VIII and the Committee on Publications and Cheminformatics Data Standards (CPCDS). Just one example of how InChI’s use is being broadened is the development of an InChI extension for the composition of mixtures (see iupac.org/project/2015-025-4-800), the primary objective of which is to establish the requirements and guidelines for the generation of a unique computer-readable identifier for chemical mixtures for use in chemical stock inventories and information systems.

InChI is just the first of IUPAC’s many significant contributions that will be highlighted during the next two years. These are all accomplishments to be proud of and which deserve to be recognized and celebrated. It is an exciting time to be part of the IUPAC family, not only to look back and celebrate, but more importantly to look forward and envision the contributions that IUPAC can continue to provide for the advancement of the chemical sciences and the benefit of mankind throughout the next 100 years!

Check-out InChI videos; access from inchi-trust.org

For more information about this project, please contact Laura McConnell <laura.mcconnell@bayer.com>, co-Chair of the Centenary Planning Committee.

iupac.org/100