Wednesday 08 June 2022 – Wednesday 08 June 2022

The next meeting of the Cambridge Cheminformatics Network will be on 8th June 2022 and will be a hybrid meeting, with Zoom and in-person attendees.

 

4pm-6pm BST

Wednesday 8th June 2022

Zoom - link on organiser's website here.

In-person: CCDC office, 12 Union Road, Cambridge, CB2 1EZ, UK.

 

Agenda:

  • Programme Efficient algorithms for fingerprint similarity search and diversity selection - Andrew Dalke, Dalke Scientific
  • Chemical substructure and similarity search at scale on a Graph computing platform - Andrew Stolman, Katana Graph
  • Automated determination of optimal λ schedules for free energy calculations - Sofia Bariami and Marc Mackey, Cresset

 

To attend on Zoom, register on the organiser's website here.

To attend in person, contact Andreas Bender on andreas (at) drugdiscovery.net