Friday 27th March 2026
10.30 – 16.15, with registration/coffee from 9.30
The Discovery Centre, AstraZeneca, Cambridge Biomedical Campus, Cambridge, CB2 0AA, UK
RSC Event Page
Overview
High-throughput experimentation (HTE), miniaturisation and route prediction are transforming the productivity of organic synthesis. However, confirming and identifying the products of reactions still relies on human interpretation of spectroscopy data such as NMR spectra. This will soon become the bottleneck in the discovery and development without new approaches and new thinking.
This one-day meeting of talks and posters will focus on new approaches to analysing spectra from NMR, IR, Vibrational CD and other spectroscopy methods which have the potential to automatically confirm and identify proposed chemical structures. Topics include improvements in data processing, ab initio and machine-learning based spectral prediction, structure verification (ASV) and structure elucidation. It will be of interest to scientists from academia and industry in the fields of spectroscopy, software and automation.
Speakers
Confirmed Speakers include
Marvin Alberts, University of Zurich/IBM
Spectra to Molecule: Language Models for Automated Structure Elucidation
Dr Markus Blätter, Novartis
Automated Structure Verification (ASV) in NMR – A Full Stack Implementation at Novartis
Professor Jacqui Cole, University of Cambridge
AI-driven Materials Characterisation
Professor Jonathan Goodman, University of Cambridge
Molecules with Confidence: DP4 and Structural Assignment
Professor Kate Kemsley, University of East Anglia
Automated Structural Assignment and Verification using AI-Predicted NMR Chemical Shifts
Dr Richard Lewis, AstraZeneca
Automatically Verifying Compounds in Pharmaceutical Discovery: Which
Approach; Which Data?
Registration
Registration is now open here
Registration fees
Student (RSC member) £50
Student (non-member) £75
RSC member £100
Non-member £125
Please contact the organisers for details of rates for retired members
Poster session
The conference will include a poster session. If you would like to present a poster please follow the link from the RSC events web page
Sponsors
We are grateful to the following organisations for their generous sponsorship of the conference. There will be a vendor exhibition at the conference where representatives of each of the sponsors will be available for discussions.
Getting Here
The conference will be held at the Discovery Centre of the Cambridge Biomedical Campus. Please note that no onsite external visitor parking is available and we recommend using public transport or Park & Ride services to reach the venue. More information can be found here.
Organisation
Supported by:
AstraZeneca
RSC NMR Discussion Group
RSC Molecular Spectroscopy Group
Organisers:
Peter Howe, AstraZeneca
John Lowe, University of Bath
Steve Coombes, AstraZeneca
Ralph Adams, University of Manchester