Chemical Taxonomy a Novel Annotation Technique for Chemical Genomics and Semantic Web

Published

October 16, 2008

Author(s)

Talapady N. Bhat, H Rodriguez

Abstract

: Chemistry and Biology that are traditionally dominated by experimentalists, are emerging to be one of the most active areas of science in the modern era of information technology and Semantic Web advocated by the World Wide Web Consortium (W3C) meaning that the data held and distributed by researchers in these fields are promising to be computationally tractable. In other words, it is widely believed that these data are suitable for interpretation and integration by machines using automated procedures. Recently a new omics word Chemical Genomics has emerged from Chemistry and Biology that promises to be a good candidate for Semantic Web technology. However, one of the major hurdles in implementing Semantic Web technology to Chemical Genomics is the lack of tools and techniques to organize chemicals into a knowledge-base that enables automated processes to index and correlate chemical structural features of interest to a user. The work discussed in this paper proposes and illustrates a chemical taxonomy that may be used to pre-process chemicals in order to enable their efficient and optimal use in chemical Semantic Web. In this proposal, using chemical data-dictionaries, fragments and subgroups of chemicals are generated and classified into chemical data-trees; and the elements of the data-trees are used to index and cross-index chemicals found in the entire archive. In this novel application, indices are used by locally developed SQL based pseudo Semantic Web search engines to automatically process and integrate information belonging to different chemicals and to dynamically compose result pages for complex queries on these chemicals. In our experience, these indices produce more precise results than conventional queries and they eliminate many of the unwanted results.

Proceedings Title

Annual International conference on Intelligent Systems for Molecular Biology (ISMB 2006) | 14th | International Society for Computational Biology (ISCB) | ISMB

Conference Dates

August 6-10, 2006

Conference Location

Fortaleza, 1, BR

Conference Title

International Conference on Intelligent Systems for Molecular Biology (ISMB)

Pub Type

Conferences

Keywords

AIDS, chemical genomics, chemical ontology, chemical taxonomy, drug discovery, HIV, semantic web, three-dimensional and two dimensional st

Citation

Bhat, T. and Rodriguez, H. (2008), Chemical Taxonomy a Novel Annotation Technique for Chemical Genomics and Semantic Web, Annual International conference on Intelligent Systems for Molecular Biology (ISMB 2006) | 14th | International Society for Computational Biology (ISCB) | ISMB, Fortaleza, 1, BR (Accessed April 25, 2024)