[OTDev] ToxCreate and IST Webservices updated

Christoph Helma helma at in-silico.ch
Fri Mar 18 16:11:08 CET 2011


Dear all,

Sorry for crossposting to both lists, I just want to make sure to reach
all partners and external developers.

I have updated toxcreate.org and the webservices at
webservices.in-silico.ch. Large portions of our code have been rewritten
for clarity, modularity and speed and we have tried to address the
biggest technical problems (RDFXML (de)serialisation of large datasets
and concurrent database access). We have new algorithms (Andrea's LAST
feature miner, OpenBabel descriptors), A+A is implemented (but not yet
activated) and we hope that the compatibility with other services has
improved (but I am sure that we have still some issues to solve).  And
the GUI has progress bars and stop buttons ;-)

Please report any problems to the issue trackers at github.org/opentox.
If you want to test without cluttering toxcreate.org, you can use
ot-test.in-silico.ch/toxcreate - it runs an 1:1 copy of toxcreate.org.

I hope we can speed up our release cycle now (assuming that we do not
get trapped by new unforeseen technical problems), the next planned
features are:

- A+A activation (needs more testing and improved efficiency for
  validation)
- Utilization of Ambit datasets
- Integration of more modelling algorithms
- Registration of models for ToxPredict
- Improved lazar algorithms

@David: If you have time, you can start your tests now.

Best regards,
Christoph



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