Monday 15 August 2022

Notes from the 12th International Conference on Chemical Structures

Following on from my earlier blog post, I recently attended the 12th ICCS in Noordwijkerhout, the Netherlands. This was a really great conference, this time organised by Gerard van Westen and colleagues. If you're interested in attending next time, unfortunately you'll have to wait another 3 years...

The conference started with the awarding of the CSA Trust Mike Lynch Award to Dr Greg Landrum, for his work on RDKit and the community around it. As a CSA Trustee, I had the pleasure of presenting this along with fellow trustee Wendy Warr.

But it wasn't all presenting awards. There was also the cruise on the IJsselmeer to be done, as ably illustrated by Peter Ertl on the right.

And most importantly, the conference itself. Once again I captured my notes as tweets which are available here. Sosei Heptares had three presentations, slides for which are available here:

  • Morgan Thomas (oral presentation): Augmented Hill-Climb improves language-based de novo molecule generation as benchmarked via the open source MolScore platform
  • Dominique Sydow (oral presentation): Integrated Structural Cheminformatics Analysis Tools for Customisable Chemogenomics Driven Kinase and GPCR Drug Design
  • Noel O’Boyle (poster presentation): Application of DeepSMILES to machine-learning of chemical structures

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