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" <batchel...@rsc.org>
To: <marsh...@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
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