Platform Technology

Sosei Heptares presenting novel Computational Chemistry and Cheminformatics approaches for GPCR SBDD at UK QSAR Spring Meeting 2023

By Sosei Heptares Computational Chemistry Team | Apr 20, 2023

The biannual meetings of the UK QSAR and Cheminformatics Group offer an opportunity for a community drawn from both academia and industry to present the latest developments in the field of chemical property prediction, data analysis and molecular modelling. The upcoming Spring meeting is co-organised by Chris de Graaf and Noel O’Boyle from the Computational Chemistry group at Sosei Heptares together with the ChEMBL group at the EMBL-EBI. It will take place on Apr 20th at the EMBL-EBI at the Wellcome Genome Campus, Hinxton, Cambridge.

The theme of the meeting is “Learning from data” and in the morning session three of the most relevant databases for the field will be introduced: PubChem, ChEMBL and the Cambridge Structural Database. Chris de Graaf will chair the afternoon session which will focus on protein structure-based techniques and will include a presentation by Brian Bender, from the Computational Chemistry group at Sosei Heptares, on “Applications of AlphaFold and Generative Molecular Design for GPCR SBDD”. The final session, chaired by Noel O’Boyle, will cover reaction informatics including applications of Enamine REAL.

Further details are available at the UK QSAR website at