ChEMBL Resources

Resources:
ChEMBL
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SureChEMBL
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ChEMBL-NTD
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ChEMBL-Malaria
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The SARfaris: GPCR, Kinase, ADME
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UniChem
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DrugEBIlity
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ECBD

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.....

5 comments:

carlugo said...

Try http://book.flowingdata.com/ and http://flowingdata.com
Lots of code inside the book
CHF

George said...

Vortex by Dotmatics springs to mind when it comes to chemistry-aware SF alternatives.
http://www.dotmatics.com/products_vortex.jsp

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.
http://www.chemaxon.com/products/instant-jchem/
http://www.chemaxon.com/instantjchem/ijc_latest/docs/user/help/htmlfiles/managing_data/widgets/VizWidgets.html

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