Re: Introduction(s) to HCLS IG

Hi,

I am Talapady N Bhat a project leader for Bioinformatics at NIST. I am also 
the co-author of the paper describing the RCSB/PDB Web site
My recent interests include developing Chemical Semantics concepts and RDF 
for chemical structures. I have developed and deployed these concepts for 
two applications
1) Structural database for AIDS -a pre-clinical data resource for all 
classes of AIDS inhibitors 
http://bioinfo.nist.gov/SemanticWeb_pr2d/chemblast.do
 2) A ligand Gateway for all ligands in the PDB 
http://xpdb.nist.gov/pdb/chemblast.html This Web site serves as a gateway to 
query ligands in the RCSB/PDB

The Semantic Concepts that I am working on has two main features (a) use of 
InChI to represent a complete chemical structure with a rule based 
index -using InChI like many other similar efforts; (b) Develop and use of 
automated procedures to generate familiar scaffolds (sub-structures) of 
chemical compounds used in step (a) and then express their relationships as 
RDF for query in a user interface using image tiles. The advantage of this 
method is that it facilitates the display of all the available chemical 
scaffolds using image tiles and it allows their use for query without any 
molecular drawing tools. This method is expected also to provide a scaffold 
based method to link chemical data across the Web for SAR or 
substructure/similarity searching/linking.

Best regards,

T N Bhat



----- Original Message ----- 
From: "Colin Batchelor" <BatchelorC@rsc.org>
To: <marshall@science.uva.nl>; "W3C HCLSIG hcls" 
<public-semweb-lifesci@w3.org>
Sent: Monday, March 09, 2009 12:42 PM
Subject: RE: Introduction(s) to HCLS IG


M. Scott Marshall writes:

> Would those of you who haven't yet done so please send an
> introduction to the list?

Oops.

I'm Colin Batchelor and I'm team leader of the R & D team in the Informatics 
Department at the Royal Society of Chemistry.

My main interest representing chemical data, in whatever form, in a 
machine-readable way, and so far this has involved building the InChI 
identifier and Open Biomedical Ontologies into a journal publishing workflow 
(1), and outputting it all as RDF (2).  I'm also a member of the IUPAC InChI 
subcommittee, a maintainer of the Sequence Ontology and an active 
participant in the RNA Ontology Consortium.

(1) http://www.projectprospect.org/
(2) 
http://www.rsc.org/publishing/journals/rssfeed.asp?FeedType=LatestArticles&JournalCode=Prospect

DISCLAIMER:

This communication (including any attachments) is intended for the use of 
the addressee only and may contain confidential, privileged or copyright 
material. It may not be relied upon or disclosed to any other person without 
the consent of the RSC. If you have received it in error, please contact us 
immediately. Any advice given by the RSC has been carefully formulated but 
is necessarily based on the information available, and the RSC cannot be 
held responsible for accuracy or completeness. In this respect, the RSC owes 
no duty of care and shall not be liable for any resulting damage or loss. 
The RSC acknowledges that a disclaimer cannot restrict liability at law for 
personal injury or death arising through a finding of negligence. The RSC 
does not warrant that its emails or attachments are Virus-free: Please rely 
on your own screening.

Received on Monday, 9 March 2009 17:31:35 UTC