Biomedical Engineering Reference
In-Depth Information
can also be run in batch mode without a graphical user interface to
execute pre-built workfl ows. This allows huge amounts of data to be
processed on a large scale with no additional software costs.
Another aspect of KNIME's free accessibility is that many more people
can easily use it and start to write extensions for their own or other freely
available programs. These not only include Indigo [4], RDKit [5], or
Imglib [6] as described in the next section, but also connectors to other
well-known open source software programs such as the R statistics
software and the Weka Data Mining suite, or integration of programming
languages such as Perl or Python. Having access to such well-established
software packages from inside KNIME is a benefi t to all users, both in
academia and industry.
6.4 Application examples
KNIME is used in many areas, such as fi nance, publishing, and life
sciences. A private bank in Switzerland, for example, is applying KNIME
workfl ows for customer segmentation based on investment philosophy
and purchase behavior. A German publishing company is using KNIME
to conduct propensity-to-purchase scoring and to look for early non-
renewal indicators. A world-wide B2B-organization applies KNIME to
perform needs and value segmentation of their customers to better plan
campaigns via their sales force.
These are only a few examples of KNIME's usage in non-life science
industries. However, the life sciences such as chemoinformatics and
bioinformatics are the fi elds in which KNIME is currently used the most.
Therefore the following example workfl ows deal with problems relevant
to these areas. In order to use these workfl ows, one fi rst needs to
download and unpack KNIME [1]. As all workfl ows make use of nodes
contributed by community members, you need to install the respective
extensions from the Community Contributions [3].
All workfl ows are available on the public workfl ow server, which can
be conveniently accessed directly from any KNIME installation.
6.4.1 Comparing two SD fi les with Indigo
The following scenario depicts a common use case in chemoinformatics.
A supplier delivers an SD fi le with new structures and the user wants to
check whether these structures are already in the corporate database or if
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