Biomedical Engineering Reference
In-Depth Information
Integration of online OpenTox descriptor calculation
services in the Bioclipse QSAR environment. Molecular
descriptors are frequently used in computational
toxicology models. This screenshot from Bioclipse
QSAR shows descriptors discovered on the Internet
(providers: OpenTox and CDK REST) in combination
with local software (provider: CDK)
Figure 2.1
comparison of various predictive models for a more balanced property
analysis.
A second basic example is the sharing of data on the OpenTox network,
which demonstrates how all Graphical User Interface (GUI) interaction
in Bioclipse can also be performed using a scripting language. Bioclipse
extends scripting languages like JavaScript and Groovy with life sciences-
specifi c extensions, defi ning the Bioclipse Scripting Language (BSL).
These extensions are available for much open source life sciences
software, including Jmol, the Chemistry Development Kit, but also the
OpenTox API. The latter is used in, for example, Figure 2.2, which shows
Search WWH ::
Custom Search