Written by: STATISTICA 8/26/2009 5:00 PM
December 2008, CambridgeSoft and CambridgeSoft's partnership started. CambridgeSoft supplies desktop and enterprise knowledge management software solutions for life sciences companies. StatSoft supplies desktop and enterprise STATISTICA data analysis and data mining software solutions.
July 2009, CambridgeSoft released ChemBioOffice 2010. This release included a special STATISTICA Base. New Feature - ChemBioOffice can export data to STATISTICA.
Note: If you are a ChemBioOffice customer and want to upgrade your STATISTICA version, fill out the request a quote form.
August 2009, CambridgeSoft and StatSoft offered a free software trial.
Download your free ChemBioOffice trial. Explore the applications by executing the Analyze Structure and Biological Assay Data example.
This blog is a summary of the Analyze Structure and Biological Assay Data example. For anyone new to ChemBioOffice... ChemBioFinder is one application within the ChemBioOffice product line.
We want to discover which compounds are worth further study in the example. AID1519 from the National Institutes of Health’s PubChem data set collection is used . AID1519 is an assay for lipid storage modulators.
Section one of the example deals with importing AID1519 into ChemBioFinder. Then ChemBioFinder can be used to calculate additional properties. You can search the data for many different criteria. ChemBioFinder with ChemBioViz also has the ability to do some first level analytics such as plots and clustering.
Exporting data from ChemBioFinder to STATISTICA is easy. Select ChemBioFinder's File menu and the To STATISTICA… menu. Go ahead and export all the variables.
Now switch your focus to the STATISTICA application. You will see a spreadsheet with the AID1519 data.
We want the case (row) names to be relevant. We want the graph labels for the points to be more meaningful than just the order they were in the original data set. So each row is named with the PubChem Substance ID (SID).
We need to see if there are substances in a certain Phenotype that seem not to act like the rest in the category. So let's do a box plot with maximum activity observed for compound and Phenotype.
Inhibitor group has four substances that stand out compared to the rest of the substances in the group. So let's see how the different Phenotypes react over a series of concentrations.
There isn't much difference (but there is some) with activity between the Phenotypes at low concentration levels. At high levels, we can see some clear differences between the groups.
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