Dear All,

I would like to bring to your attention some recent developments around the
Chemical Structure Lookup Service:

http://cactus.nci.nih.gov/lookup/
http://cholla.chemnavigator.com/lookup

Since quite a while there is a SOAP interface for CSLS available which mimics
the functionality of the web service. More details about this interface are
available here:

http://cactus.nci.nih.gov/lookup/help.html#Q9

A quite interesting development is the new RESTful interface for the Chemical
Structure Lookup Service (the service is still in beta and will be part of a
new CSLS version). It allows access to any identifier available in CSLS and to
convert it into another representation, e.g.:

http://cactus.nci.nih.gov/chemical/structure/CCO/inchikey

The general format of the URLS are

http://cactus.nci.nih.gov/chemical/structure/{identifier}/{method}

Allowed identifier values are:
- SMILES
- Std. InChI/InChIKey (~50 million InChIKeys are available for lookup)
- chemical names (~70 million)
- NCI/CADD Identifier (FICuS, uuuuu)
- RN numbers

Currently available methods include:
- /smiles
- /inchi
- /inchikey
- /names
- /image
- /ficus
- /ficts 
- /uuuuu

... and more are expected to come.

Some further examples:

http://cactus.nci.nih.gov/chemical/structure/CCO/names
http://cactus.nci.nih.gov/chemical/structure/aspirin/image
http://cactus.nci.nih.gov/chemical/structure/InChIKey=YXFVVABEGXRONW-UHFFFAOYSA-N/smiles

We have developed and currently we are testing a demo client for this service.
We have very positive impressions so far.

Kind regards,
Vedrin