- From: Peter Murray-Rust <pm286@cam.ac.uk>
- Date: Thu, 14 Apr 2005 20:43:07 +0100
- To: public-semweb-lifesci@w3.org
- Cc: nick Day <nicholas.day@lincoln-oxford.com>,<h.rzepa@ic.ac.uk>
At SWLS2004 We presented the IUPAC InChI as an approach to LSID for molecules in life sciences: <http://lists.w3.org/Archives/Public/public-swls-ws/2004Sep/att-0026/inchi.html>http://lists.w3.org/Archives/Public/public-swls-ws/2004Sep/att-0026/inchi.html and with evidence of its value: http://lists.w3.org/Archives/Public/public-swls-ws/2004Oct/att-0019/ The full stable release of InChI comes out this week, and Nick Day (Cambridge) has prepared an FAQ: http://wwmm.ch.cam.ac.uk/inchifaq which should answer most questions. An increasing number of bio-resources now use InChI. PubChem: http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=17647 and we have converted the NCI, e.g. http://wwmm.ch.cam.ac.uk/gridsphere/gridsphere?cid=db (which shows its use in a database) and KEGG collections, e.g. http://wwmm.ch.cam.ac.uk/data/kegg/cml_inchi/C12424.cml We talked today with the MSD group at EBI (who have adopted CML) about adding InChI to the export. I'd be happy to answer any questions here about its potential use as an LSID. So far we have found it robust in both databases, Web search engines and software. P Peter Murray-Rust Unilever Centre for Molecular Informatics Chemistry Department, Cambridge University Lensfield Road, CAMBRIDGE, CB2 1EW, UK Tel: +44-1223-763069 Fax: +44 1223 763076
Received on Friday, 15 April 2005 06:07:05 UTC