Hi all, I would like to enhance QsarDB with BODO descriptors. There are two issues I need to address: 1) to specify what exactly constitutes a descriptor "definition", 2) to devise an appropriate serialization method for it.
A good starting point is to look into CDK descriptor classes, for example, into the XLogPDescriptor class. I can see that the descriptor "definition" consists of two parts. The first part is the descriptior specification as specified by IDescriptor#getSpecification(), and the second part is the collection of parameters as specified by IDescriptor#getParameterNames() and #getParameters(). The descriptor specification is a set of four predefined attributes. The most important of them is the specification reference. For the XLogPDescriptor class it's the URL "http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/#xlogP";. However, when I try this URL I get an HTTP 403 error. What to make of it? Are all the specification reference URLs broken "by design" from the beginning, or is it some kind of recent development? Where can I find the complete list of specification reference URLs? Descriptor parameters are name-value pairs. For the XLogPDescriptor class they are "checkAromaticity" and "salicylFlag". Are the parameters part of the BODO or are they descriptor implementation dependent? For some reason CDK descriptor classes do not implement the java.io.Serializable interface. If they did it would be straightforward to use the Java serialization API to share descriptor instances as plain *.ser files. What have you done to work around this limitation? More specifically, is there a BO-approved solution (an XML Schema perhaps) for descriptor serialization? VR ------------------------------------------------------------------------------ Ridiculously easy VDI. With Citrix VDI-in-a-Box, you don't need a complex infrastructure or vast IT resources to deliver seamless, secure access to virtual desktops. With this all-in-one solution, easily deploy virtual desktops for less than the cost of PCs and save 60% on VDI infrastructure costs. Try it free! http://p.sf.net/sfu/Citrix-VDIinabox _______________________________________________ Blueobelisk-discuss mailing list Blueobelisk-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
