Symposium 8.2

DIGITAL CHEMISTRY AND THE LAB OF THE FUTURE

Format: A full day symposium (2 following sessions), including Invited (IL), Contributed (CL) Lectures, and expert panel discussion. 

 

Scientific research and development worldwide is entering an era of increasing digital communication and data-driven business models. Funding agencies in diverse countries around the globe have mandated public access to research outputs. Machine learning and artificial intelligence are coming into their own in the data economy. What will be the impact of these technologies on the chemistry lab of the future? What types of chemical data will be in demand to support society’s grand challenges? What digital workflows make sense for chemists in diverse sectors? What innovations are needed to improve recognition and support of chemistry research? How will chemsts want to communicate and share research in the future?  This session will aim to bring together perspectives on these issues from across the chemical enterprise and engage discussion on the role of IUPAC in supporting chemistry research of the future.

 

The mission of IUPAC is to "provide objective scientific expertise and develop the essential tools for the application and communication of chemical knowledge for the benefit of humankind and the world.” Key to the success of digital chemistry in the global economy will be “a consistent global framework for Human AND Machine-readable chemical information in collaboration with other science communities, industry, and governments.” This framework is already being realized in other scientific disciplines, and the need is becoming clear in chemical databases and other applications that analyze chemical data. In its second century, IUPAC is moving to build a common language of chemistry for machines that will facilitate the management, assessment, sharing, reuse, and global dissemination of digital research information.

 

Keywords 

Artificial Intelligence (AI), Machine Learning (ML), FAIR data principles, knowledge discovery, chemical representation  

 

Organisers
On behalf of the IUPAC Committee on Publications and Cheminformatics Data Standards

  • Ian BRUNO  (Cambridge Crystallographic Data Centre, Cambridge, UK)

  • Kazuhiro HAYASHI  (Nat. Inst. Sci. and Techn. Policy NISTEP, Tokyo, JP)

  • Leah McEWEN  (Cornell University, Ithaca NY, USA).