Cheminformatics SIG Meeting April 11th, Cambridge UK

The long-overdue next meeting of the Cheminformatics SIG will be hosted by Vernalis (Cambridge, UK) on 11th April 2019. If you wish to come, please sign up via Eventbrite at

If you wish to present anything please let me know either by commenting below or via the Eventbrite ‘Contact the meeting organiser’ options.

As with previous events, the agenda is fairly informal, but currently stands at:

  • 12 noon - Arrival / lunch
  • 1 pm - Welcome (Steve Roughley, Vernalis)
  • 1.05 pm - Presentation (Greg Landrum, KNIME) - some combination of:
    • Overview of some of the new interactive views
    • A “deep dive” into the model prediction workflow that’s setup to be deployed as a webservice, and self-testing
    • A more scientific thing about building models for unbalanced datasets
  • 2 pm - Update from Lhasa Ltd (Sam Webb)
  • 2.15 pm - Update from Vernalis (Steve Roughley)
    • Recent release
    • Reactor nodes / Extension point
    • Webservices nodes / Extension point
  • 3 pm - Coffee
  • 3.30 Open discussion - possible topics include:

It is very likely that at least some of us will round off the day with a trip to a local pub - venue to be decided on the day.


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Some further details:

If you would like lunch, then please register by lunchtime on Monday 8th April!

Audience: Anyone with lots of data with some sort of chemical/cheminformatics or biological/structural biology/bioinformatics aspect to it. (At a push, just a lot of data, particularly with repetitive analysis / processing tasks) - Don’t have to be an existing KNIME user, although that might help

The format is deliberately informal - if you have a burning question / something you think might be interesting to someone else / problem to solve etc. then bring it along. The nature of the discussions on the day will be influenced by the audience - we’ve had everything from 95% community contribution developers to 95% never-used-KNIME before in previous meetings.


There is a problem with the Eventbrite registration system at the moment (see

Hopefully this should be sorted soon as we need to finalise lunch numbers today. If you are trying and failing to register, please either leave a message here, or use the ‘Contact the event administrator’ option.


Registration is back online!