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Computational toxicology using the OpenTox application programming interface and Bioclipse

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Figure 1 shows how the interoperability of Bioclipsewith the OpenTox API is designed, and in particularhow it was used to extend the molecular descriptor cal-culation functionality in Bioclipse described previously[22]
Figure 2 Integration of OpenTox descriptors in Bioclipse QSAR. Molecular descriptors are much used in computational toxicology models.This screenshot from Bioclipse QSAR shows descriptors discovered on the Internet (providers: OpenTox and CDK REST) in combination with localsoftware (provider: CDK).
Table 1 BSL script commands for interacting with the OpenTox platform
Figure 3 Graphical user interface for uploading data toOpenTox. Sharing new toxicological data about molecularstructures can be done by uploading the data to an OpenToxserver
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