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Installing Oscar
About half-way my Oscar project now. I blogged about the Oscar Java API, the command line utility, and the Taverna plugin (all in development). Also, David Jessop joined in, boosting the refactoring. The meeting with the ChEBI team last week was great too. We worked out details for the use cases, involving Oscar and Lezan’s ChemicalTagger.
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More fails... (aka: no VR grant awarded)
I failed to get a VR grant in 2010. The arguments are interesting:
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Why you have not heard me much about chemometrics recently...
A casual reader my not know the background of the title of my blog. A bit over five years ago, when I started this blog, I defined chemblaics:
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Oscar4 command line utilities
One goal of my three month project is to take Oscar4 to the community. We want to get it used more, and we need a larger development community. Oscar4 and the related technologies do a good, sometimes excellent, job, but have to be maintained, just like any other piece of code. To make using it easier, we are developing new APIs, as well as two user-oriented applications: a Taverna 2 plugin , and command line utilities. The Oscar4 Java API has slightly evolved in the last three weeks, removing some complexity. In this post, I will introduce the command line utilities.
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TTT it is
The fact that Piet Hein said it, gives it an extra (fourth) dimension. Things Take Time.
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Calculating molecular descriptors with OpenTox
While working during office hours on Oscar, I am also trying to finish up some work left from Uppsala. One such thing is the Bioclipse-OpenTox project (see Using Bioclipse to upload data to an OpenTox server and Oxford, August 2010: eCheminfo Predictive ADME & Toxicology 2010 Workshop). Today I finished calculating molecular descriptor values with OpenTox servers:
