KNIME Cheminformatics SIG Spring 2019

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Location

Location

Vernalis Research

Granta Park

Cambridge

CB21 6GB

United Kingdom

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KNIME Cheminformatics Special Interest Group meeting.

A draft agenda is now available as follows:

12 noon – 1 pm Arrival / Lunch

1 pm – 1.05 pm Welcome – Steve R

1.05 – 2 pm Presentation (Greg) – some combination of

  • Overview of some of the new interactive view stuff
  • 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 – 2.15 pm Update from Lhasa Limited (Sam Webb)

2.15 – 3 pm Some new stuff from Vernalis (Steve R)

  • Quick skim over recent releases
  • MCS Decomposer?
  • Reactor nodes / Extension point
  • Webservice nodes / Extension point
  • Anything else? (PDB handling?)

3pm – 3.30 Coffee break

3.30 – 5.30 Open Discussion – possible topics to include:

If you are interested in presenting anything, or have any suggestions for things to discuss, please let Steve know.

We will likely adjourn to a pub - location tbc on the day.

Steve

Date and Time

Location

Vernalis Research

Granta Park

Cambridge

CB21 6GB

United Kingdom

View Map

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