From Spectral Data To Chemical Knowledge

From Spectral Data To Chemical Knowledge

Its not just reaction monitoring…

When: Tue 7th November 2017

Where: University of Bath, Bath, UK


The above cross disciplinary meeting focussed on the spectroscopic analysis of chemical processes, application of this data to advance chemical knowledge and the role of computers and automation. The meeting included topics such as how to handle and manipulate multiple data streams acquired concurrently, direct comparison of reaction profiles form different techniques, archiving and data security, the use of self-optimising reactors and scientific data management.

The meeting was jointly organised by the RSC Molecular Spectroscopy Group, the RSC Chemical Information and Computer Applications Group (CICAG) and the Dial-a-Molecule EPSRC Grand Challenge

Speakers included

  • Julian Morris (CPACT) “Advances and Challenges in Process Analytical Technologies and Predictive Analytics in Process Development and Manufacturing
  • Yui Tateno (GSK) “A chemist’s journey into Operational Technology Security”
  • Mubina Mohammed and Graeme Clemens (AstraZeneca) “The use of automation for process development and understanding”
  • Jordi Bures (University of Manchester) “Modern kinetic analyses for catalytic reactions”
  • Jeremy Frey (University of Southampton) “GO FAIR, Go Far: Open data, Open science, Open innovation
  • Carole Mundell (University of Bath) “Spectral data management & analysis in astrophysics
  • Clemens Minnich (S-PACT) “Chemometrics – How to turn spectroscopic data into process knowledge”

There was also a vendor exhibition during the meeting,  enabling users and vendors to share their thoughts on current issues and solutions alike. Vendors include ACD/Labs, Mestrelabs, Mettler-Toledo, TGK, Bruker, S-PACT and Advion.

Organising committee

Steve Coombes (AstraZeneca, MSG)

Ulrich Hintermair (University of Bath, D-a-M)

Catherine Lyall (University of Bath)

Jeremy Frey (University of Southampton, CICAG)

Gill Smith (D-a-M Network Co-ordinator)