Re: [Cdk-devel] REST IDs for molecules and descriptors

[Ola S. <ola...@fa...>]

I think we are talking about the same thing but different terminology  
(expecially me).
I am new to REST but I'll try to explain what my intentions are:

In REST, each resource has a URL which uniquely identifies the  
resource. Here, I'd like to have a URL that identifies a molecule/ 
descriptor, and by calling it with HTTP GET it will return the actual  
molecule/descriptor. So when I say REST ID I should probably say  
Resource URL. Maybe even, in the xml, use URL instead of ID?

On Jan 7, 2008, at 16:12 , Rajarshi Guha wrote:
>
> What do you mean by this? I have provided a web service to get
> descriptor specifications and REST URL to the desc specs for all
> descriptors is
>
> http://rguha.ath.cx/~rguha/cicc/desc/descriptors/specifications
>
> Does this work for you?

Yes, this is good. Do individual descriptorSpecifications also have  
URL's? Like:

http://rguha.ath.cx/~rguha/cicc/desc/descriptors/specifications/ 
org.openscience.cdk.qsar.descriptors.molecular.ALOGPDescriptor

will return:

<DescriptorSpecification  
class="org.openscience.cdk.qsar.descriptors.molecular.ALOGPDescriptor">
	<SpecificationReference>
		http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/ 
#ALOGP
	</SpecificationReference>
	<ImplementationTitle>
		org.openscience.cdk.qsar.descriptors.molecular.ALOGPDescriptor
	</ImplementationTitle>
	<ImplementationIdentifier>$Id: ALOGP-MR descriptor  $</ 
ImplementationIdentifier>
	<ImplementationVendor>The Chemistry Development Kit</ 
ImplementationVendor>
</DescriptorSpecification>

And:
	http://www.blueobelisk.org/ontologies/chemoinformatics-algorithms/ 
#ALOGP
would be the URL of the descriptor.
Egon: This URL does not work. It should return the XML description  
for this descriptor, right?