Biomedical Engineering Reference
In-Depth Information
Indeed the compound turns out positive with the following OpenTox
models:
'ToxTree: Structure alerts for the in vivo micronucleus assay in rodents';
'IST DSSTox Carcinogenic Potency DBS Mutagenicity';
'IST DSSTox Carcinogenic Potency DBS Rat';
'IST DSSTox Carcinogenic Potency DBS MultiCellCall';
'IST DSSTox Carcinogenic Potency DBS SingleCellCall';
'IST Kazius-Bursi Salmonella Mutagenicity';
'ToxTree: Skin sensitization'.
However, the compound is negative with the following OpenTox models:
'IST DSSTox Carcinogenic Potency DBS Hamster';
'IST DSSTox Carcinogenic Potency DBS Mouse';
'IST DSSTox Carcinogenic Potency DBS Hamster';
'ToxTree: Benigni/Bossa rules for carcinogenicity and mutagenicity'.
The considerably higher number of positive than negative predictions
confi rms the initial toxicity estimation by the human adverse events
model and Bioclipse's Decision Support Models.
2.5 Discussion
These use cases show an interoperability advance, which enables
toxicologists and people working in other life science fi elds to interactively
explore and evaluate the toxicological properties of molecules. The
integration into Bioclipse makes various features of the OpenTox
platform available to the user, both via the GUI and the Bioclipse
Scripting Language, the latter focusing on reproducibility, the former
on interactive exploration and optimization. This dual nature of
the Bioclipse-OpenTox interoperability makes it unique. A solution
which is capable of dynamically discovering new services, applying
them while working interactively, makes the platform different
from other software like ToxTree [13], ToxPredict [32], and the
OECD QSAR ToolBox [11], or more general tools like Taverna [33] and
KNIME [34].
A further difference to some of these alternative tools is that the
Bioclipse-OpenTox integration relies on semantic web technologies,
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