ChEMBL Resources

The SARfaris: GPCR, Kinase, ADME

Thursday, 15 December 2011

Spotfire DecisionSite replacement

We used to use Spotfire DecisionSite for data visualisation, and liked it a lot - we've just found out there are some pretty major changes to the licensing; and are now looking for alternatives if we can't work out a way forward. So, any suggestions for good data exploration tools, preferably with some sort of chemistry capabilities. Ideally they would run natively on Mac OsX.

Ideas in the comments please.....


carlugo said...

Try and
Lots of code inside the book

George said...

Vortex by Dotmatics springs to mind when it comes to chemistry-aware SF alternatives.

Tim Dudgeon said...

Instant JChem from Chemaxon might be what you want. Strong chemistry support plus visualisation, and as its Java based will run on any platform.

Gerard van Westen said...

Also had very good experience with Vortex Dotmatics. I also integrates with Pipeline Pilot.

It is however Java based, so it does not run completely native on a Mac (well as native as it does on windows machines).

Lo Sauer said...

I am unfamiliar with Spotfire DecisionSite, but if it Chemical Genomics toolkit you are searching for one answer may be the R package CheMiner. It is powerful and well written. In combination with other Chemistry Viz Bioconductor packages it is IMHO sometimes unbeatable.

For point and click PCA & Co, you might want to check out AnalyzerPro